You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
60 lines
2.5 KiB
60 lines
2.5 KiB
8 |
|
Coordinates from ORCA-job cmmd E -14.096267802670 |
|
C 1.027500 0.062200 0.072580 |
|
O 0.417130 0.965720 -0.476320 |
|
N 0.412740 -0.961230 0.694340 |
|
N 2.371940 0.005490 0.107030 |
|
H -0.597890 -0.961740 0.694650 |
|
H 0.906810 -1.709270 1.148790 |
|
H 2.877770 0.753250 -0.347240 |
|
H 2.882900 -0.734210 0.556420 |
|
8 |
|
Coordinates from ORCA-job cmmd E -14.097059780970 |
|
C 1.026599 0.063534 0.071775 |
|
O 0.419266 0.962559 -0.474401 |
|
N 0.398871 -0.967664 0.698250 |
|
N 2.385393 0.012539 0.102749 |
|
H -0.604909 -0.967519 0.698158 |
|
H 0.887272 -1.715787 1.152748 |
|
H 2.887134 0.755556 -0.348644 |
|
H 2.899273 -0.723008 0.549615 |
|
8 |
|
Coordinates from ORCA-job cmmd E -14.097116511300 |
|
C 1.024877 0.066081 0.070225 |
|
O 0.419399 0.962364 -0.474282 |
|
N 0.396421 -0.968421 0.698710 |
|
N 2.387385 0.013973 0.101877 |
|
H -0.606385 -0.970819 0.700166 |
|
H 0.886427 -1.715651 1.152664 |
|
H 2.891218 0.754998 -0.348304 |
|
H 2.899558 -0.722314 0.549195 |
|
8 |
|
Coordinates from ORCA-job cmmd E -14.097125149210 |
|
C 1.023481 0.068148 0.068971 |
|
O 0.418597 0.963551 -0.475004 |
|
N 0.396863 -0.968031 0.698473 |
|
N 2.386768 0.013841 0.101957 |
|
H -0.605975 -0.973133 0.701571 |
|
H 0.889287 -1.714066 1.151700 |
|
H 2.893357 0.753537 -0.347418 |
|
H 2.896522 -0.723637 0.549999 |
|
8 |
|
Coordinates from ORCA-job cmmd E -14.097128021000 |
|
C 1.022356 0.069813 0.067959 |
|
O 0.417673 0.964919 -0.475835 |
|
N 0.397723 -0.967429 0.698108 |
|
N 2.385728 0.013504 0.102160 |
|
H -0.605206 -0.975145 0.702795 |
|
H 0.892502 -1.712287 1.150618 |
|
H 2.895012 0.751961 -0.346460 |
|
H 2.893112 -0.725126 0.550905 |
|
8 |
|
Coordinates from ORCA-job cmmd E -14.097128392560 |
|
C 1.022133 0.070143 0.067759 |
|
O 0.417407 0.965313 -0.476075 |
|
N 0.397948 -0.967193 0.697965 |
|
N 2.385377 0.013456 0.102189 |
|
H -0.605000 -0.975768 0.703173 |
|
H 0.893436 -1.711710 1.150267 |
|
H 2.895540 0.751497 -0.346178 |
|
H 2.892060 -0.725528 0.551150
|
|
|