6
* ch3ohv.OUT -113.54919315
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 0.000000 0.000000 0.000000 0.120000
H -0.912101 -1.005927 0.000000 0.000000 0.000000 -1.760000
H 1.090132 0.995415 0.000000 0.000000 0.000000 -0.600000
H -0.439468 1.081620 0.886605 0.480000 0.060000 0.240000
H -0.439468 1.081620 -0.886605 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 0.012979 0.000000 0.000000 0.120000
H -0.912101 -1.005927 -0.190354 0.000000 0.000000 -1.760000
H 1.090132 0.995415 -0.064894 0.000000 0.000000 -0.600000
H -0.387553 1.088109 0.912562 0.480000 0.060000 0.240000
H -0.491383 1.075131 -0.860648 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 0.024687 0.000000 0.000000 0.120000
H -0.912101 -1.005927 -0.362076 0.000000 0.000000 -1.760000
H 1.090132 0.995415 -0.123435 0.000000 0.000000 -0.600000
H -0.340720 1.093963 0.935979 0.480000 0.060000 0.240000
H -0.538216 1.069277 -0.837231 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 0.033979 0.000000 0.000000 0.120000
H -0.912101 -1.005927 -0.498354 0.000000 0.000000 -1.760000
H 1.090132 0.995415 -0.169894 0.000000 0.000000 -0.600000
H -0.303553 1.098609 0.954562 0.480000 0.060000 0.240000
H -0.575383 1.064631 -0.818648 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 0.039944 0.000000 0.000000 0.120000
H -0.912101 -1.005927 -0.585851 0.000000 0.000000 -1.760000
H 1.090132 0.995415 -0.199722 0.000000 0.000000 -0.600000
H -0.279691 1.101592 0.966494 0.480000 0.060000 0.240000
H -0.599245 1.061648 -0.806716 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 0.042000 0.000000 0.000000 0.120000
H -0.912101 -1.005927 -0.616000 0.000000 0.000000 -1.760000
H 1.090132 0.995415 -0.210000 0.000000 0.000000 -0.600000
H -0.271468 1.102620 0.970605 0.480000 0.060000 0.240000
H -0.607468 1.060620 -0.802605 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 0.039944 0.000000 0.000000 0.120000
H -0.912101 -1.005927 -0.585851 0.000000 0.000000 -1.760000
H 1.090132 0.995415 -0.199722 0.000000 0.000000 -0.600000
H -0.279691 1.101592 0.966494 0.480000 0.060000 0.240000
H -0.599245 1.061648 -0.806716 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 0.033979 0.000000 0.000000 0.120000
H -0.912101 -1.005927 -0.498354 0.000000 0.000000 -1.760000
H 1.090132 0.995415 -0.169894 0.000000 0.000000 -0.600000
H -0.303553 1.098609 0.954562 0.480000 0.060000 0.240000
H -0.575383 1.064631 -0.818648 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 0.024687 0.000000 0.000000 0.120000
H -0.912101 -1.005927 -0.362076 0.000000 0.000000 -1.760000
H 1.090132 0.995415 -0.123435 0.000000 0.000000 -0.600000
H -0.340720 1.093963 0.935979 0.480000 0.060000 0.240000
H -0.538216 1.069277 -0.837231 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 0.012979 0.000000 0.000000 0.120000
H -0.912101 -1.005927 -0.190354 0.000000 0.000000 -1.760000
H 1.090132 0.995415 -0.064894 0.000000 0.000000 -0.600000
H -0.387553 1.088109 0.912562 0.480000 0.060000 0.240000
H -0.491383 1.075131 -0.860648 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 0.000000 0.000000 0.000000 0.120000
H -0.912101 -1.005927 -0.000000 0.000000 0.000000 -1.760000
H 1.090132 0.995415 -0.000000 0.000000 0.000000 -0.600000
H -0.439468 1.081620 0.886605 0.480000 0.060000 0.240000
H -0.439468 1.081620 -0.886605 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 -0.012979 0.000000 0.000000 0.120000
H -0.912101 -1.005927 0.190354 0.000000 0.000000 -1.760000
H 1.090132 0.995415 0.064894 0.000000 0.000000 -0.600000
H -0.491383 1.075131 0.860648 0.480000 0.060000 0.240000
H -0.387553 1.088109 -0.912562 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 -0.024687 0.000000 0.000000 0.120000
H -0.912101 -1.005927 0.362076 0.000000 0.000000 -1.760000
H 1.090132 0.995415 0.123435 0.000000 0.000000 -0.600000
H -0.538216 1.069277 0.837231 0.480000 0.060000 0.240000
H -0.340720 1.093963 -0.935979 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 -0.033979 0.000000 0.000000 0.120000
H -0.912101 -1.005927 0.498354 0.000000 0.000000 -1.760000
H 1.090132 0.995415 0.169894 0.000000 0.000000 -0.600000
H -0.575383 1.064631 0.818648 0.480000 0.060000 0.240000
H -0.303553 1.098609 -0.954562 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 -0.039944 0.000000 0.000000 0.120000
H -0.912101 -1.005927 0.585851 0.000000 0.000000 -1.760000
H 1.090132 0.995415 0.199722 0.000000 0.000000 -0.600000
H -0.599245 1.061648 0.806716 0.480000 0.060000 0.240000
H -0.279691 1.101592 -0.966494 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 -0.042000 0.000000 0.000000 0.120000
H -0.912101 -1.005927 0.616000 0.000000 0.000000 -1.760000
H 1.090132 0.995415 0.210000 0.000000 0.000000 -0.600000
H -0.607468 1.060620 0.802605 0.480000 0.060000 0.240000
H -0.271468 1.102620 -0.970605 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 -0.039944 0.000000 0.000000 0.120000
H -0.912101 -1.005927 0.585851 0.000000 0.000000 -1.760000
H 1.090132 0.995415 0.199722 0.000000 0.000000 -0.600000
H -0.599245 1.061648 0.806716 0.480000 0.060000 0.240000
H -0.279691 1.101592 -0.966494 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 -0.033979 0.000000 0.000000 0.120000
H -0.912101 -1.005927 0.498354 0.000000 0.000000 -1.760000
H 1.090132 0.995415 0.169894 0.000000 0.000000 -0.600000
H -0.575383 1.064631 0.818648 0.480000 0.060000 0.240000
H -0.303553 1.098609 -0.954562 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 -0.024687 0.000000 0.000000 0.120000
H -0.912101 -1.005927 0.362076 0.000000 0.000000 -1.760000
H 1.090132 0.995415 0.123435 0.000000 0.000000 -0.600000
H -0.538216 1.069277 0.837231 0.480000 0.060000 0.240000
H -0.340720 1.093963 -0.935979 -0.480000 -0.060000 0.240000
6
* ch3ohv.1 399.15070000
C 0.050065 0.665047 0.000000 0.000000 0.000000 0.000000
O 0.050065 -0.767876 -0.012979 0.000000 0.000000 0.120000
H -0.912101 -1.005927 0.190354 0.000000 0.000000 -1.760000
H 1.090132 0.995415 0.064894 0.000000 0.000000 -0.600000
H -0.491383 1.075131 0.860648 0.480000 0.060000 0.240000
H -0.387553 1.088109 -0.912562 -0.480000 -0.060000 0.240000
|