%chk=000194863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194863

0 1
S 3.681985 1.167775 0.492125
O -0.133505 -2.379674 0.157486
O -3.071013 1.555329 -0.106187
N -2.047829 -0.506852 -0.014351
C -0.692642 -0.078465 0.105736
C 0.319071 -1.074678 0.196538
C -0.292717 1.265697 0.140074
C 2.027908 0.596102 0.346976
C 1.672386 -0.754532 0.316461
C 1.059175 1.600121 0.260061
C -3.167087 0.343329 -0.114070
C -4.473700 -0.392240 -0.229628
C 4.720031 -0.302840 0.600084
H -1.048911 2.060406 0.072163
H 2.414175 -1.543682 0.382717
H 1.341425 2.654513 0.284455
H -2.179490 -1.523492 -0.025466
H -4.680257 -1.023937 0.644372
H -4.523483 -1.024090 -1.126224
H -5.301799 0.333485 -0.303020
H 0.610199 -3.025508 0.223737
H 4.655294 -0.924232 -0.299740
H 4.487262 -0.912213 1.480161
H 5.759623 0.044477 0.695942


%chk=000194863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194863

0 1
S 3.812056 1.212849 0.468616
O -0.185676 -2.336050 0.136029
O -3.197620 1.596313 -0.098333
N -2.040700 -0.443256 -0.013158
C -0.698552 0.001166 0.097913
C 0.300708 -1.006942 0.178747
C -0.284920 1.356712 0.132884
C 2.066708 0.664420 0.326912
C 1.668307 -0.693055 0.291162
C 1.082571 1.680657 0.246721
C -3.197949 0.328982 -0.104922
C -4.480272 -0.497209 -0.216562
C 4.738622 -0.409512 0.627068
H -1.044751 2.137580 0.071663
H 2.402780 -1.504780 0.348450
H 1.380713 2.734021 0.274899
H -2.142409 -1.462788 -0.025558
H -4.611655 -1.156312 0.661638
H -4.470625 -1.131802 -1.122195
H -5.335901 0.190595 -0.275063
H 0.548156 -2.993566 0.191993
H 4.623200 -1.020021 -0.282777
H 4.406498 -0.963645 1.519490
H 5.796813 -0.129557 0.744786


