%chk=000238622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238622

0 1
S 1.067924 1.144821 -0.218450
S -0.560453 -1.875488 0.140368
O -0.486271 3.078016 -0.521501
O -2.494076 2.258891 -0.554390
N -1.288400 2.155073 -0.457616
C -1.323069 -0.321739 -0.102286
C -2.785360 -0.518041 -0.115112
C 1.790874 -0.449510 -0.045160
C 3.258347 -0.296893 -0.067362
C -0.670592 0.836653 -0.246751
C 1.162170 -1.611991 0.094600
C -3.437773 -0.825986 -1.319270
C -3.512852 -0.412388 1.080934
C 3.913267 0.035761 -1.263307
C 3.995884 -0.481333 1.113537
C -4.820195 -1.028736 -1.321125
C -4.894687 -0.617783 1.066833
C 5.303463 0.179756 -1.273886
C 5.384565 -0.333159 1.093102
C -5.548173 -0.925891 -0.131088
C 6.039152 -0.003560 -0.098806
H 1.709639 -2.559239 0.194605
H -2.872143 -0.898916 -2.247709
H -3.005159 -0.165046 2.012748
H 3.341679 0.181128 -2.180387
H 3.484152 -0.732131 2.042055
H -5.331432 -1.262870 -2.254288
H -5.463919 -0.532249 1.991851
H 5.813360 0.438629 -2.201239
H 5.958157 -0.472530 2.008619
H -6.626426 -1.081541 -0.137923
H 7.122045 0.112393 -0.110697


%chk=000238622-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238622

0 1
S 0.983803 1.230601 1.079096
S -0.560286 -1.650186 1.324020
O -0.717367 3.214373 -0.191806
O -1.860822 1.794535 -1.572041
N -1.112491 2.032990 -0.548421
C -1.371831 -0.245029 0.456797
C -2.788032 -0.487588 0.098301
C 1.846257 -0.351377 0.612910
C 3.252647 -0.236069 0.156502
C -0.644102 0.907417 0.286688
C 1.156036 -1.518889 0.709671
C -3.190003 -1.712051 -0.500942
C -3.775601 0.489788 0.407995
C 3.716219 0.911541 -0.543912
C 4.171446 -1.292658 0.424470
C -4.546934 -1.942924 -0.808862
C -5.129935 0.251173 0.106494
C 5.054445 0.989566 -0.984093
C 5.506017 -1.211842 -0.020678
C -5.520801 -0.963383 -0.507130
C 5.953719 -0.071295 -0.729447
H 1.563941 -2.474212 0.366585
H -2.434230 -2.467725 -0.738585
H -3.481315 1.424247 0.898113
H 3.021058 1.732441 -0.748519
H 3.843350 -2.160250 1.007796
H -4.843465 -2.884485 -1.283157
H -5.881621 1.008338 0.353271
H 5.393939 1.878270 -1.526891
H 6.201667 -2.029494 0.197754
H -6.575241 -1.144945 -0.742234
H 6.993231 -0.006776 -1.068848


