%chk=000279359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279359

0 1
S -1.937796 -1.577902 0.547088
O -0.980846 -3.593742 -0.478413
O 2.454035 -0.276296 -0.685986
O 0.034019 -5.061244 0.892890
O 2.930267 -1.191577 1.393800
N 1.134647 -1.910601 0.074535
C -2.650176 0.062552 0.992916
C -1.538882 1.066802 1.066334
C -3.702092 0.284483 -0.058192
C -0.665267 -1.838767 1.827816
C 0.452193 -2.640893 1.165553
C -1.403791 1.856990 2.218935
C -4.755743 -0.642689 -0.160194
C -0.610891 1.207049 0.021357
C -3.679244 1.393779 -0.915623
C -0.137576 -3.920181 0.552064
C -0.347957 2.766769 2.327625
C -5.755521 -0.467621 -1.118895
C 0.446797 2.111112 0.138874
C -4.685699 1.565719 -1.870981
C 0.582085 2.891787 1.291792
C -5.722906 0.635773 -1.978348
C 2.244015 -1.124835 0.402327
C 3.600993 0.521412 -0.813122
C 4.634070 0.614756 0.118513
C 3.587284 1.247080 -2.016290
C 5.698582 1.474829 -0.174043
C 4.661720 2.096076 -2.278230
C 5.715332 2.212464 -1.361140
H -3.153227 -0.032817 1.990212
H -0.284005 -0.874229 2.221331
H -1.097914 -2.380958 2.690045
H 1.221362 -2.945796 1.941246
H -2.123131 1.770393 3.031456
H -4.799208 -1.504420 0.506412
H -0.715707 0.611018 -0.886248
H -2.882774 2.134497 -0.840310
H 0.540668 -1.628469 -0.719753
H -0.249814 3.377378 3.224176
H -6.564166 -1.192910 -1.196076
H 1.175730 2.199453 -0.668095
H -4.658657 2.430211 -2.532774
H 1.410496 3.592529 1.381535
H -6.503147 0.769808 -2.724776
H -1.422861 -4.390472 -0.890485
H 4.618892 0.037500 1.047108
H 2.762282 1.132327 -2.714921
H 6.521031 1.565577 0.536223
H 4.681081 2.670849 -3.204177
H 6.549014 2.877445 -1.576689


%chk=000279359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279359

0 1
S -1.984771 -1.679890 0.230399
O 0.129306 -4.318775 -0.942787
O 2.687087 -0.578586 -0.896501
O -0.346962 -5.138710 1.181277
O 2.698597 -1.059824 1.445523
N 1.230808 -2.082343 -0.065133
C -2.635541 0.020400 0.906903
C -1.532098 1.059184 1.042483
C -3.814112 0.399644 0.011313
C -0.696762 -2.084521 1.561739
C 0.519828 -2.846183 0.954580
C -1.522888 1.896936 2.187711
C -5.051226 -0.275580 0.190605
C -0.526797 1.240710 0.057816
C -3.720343 1.396934 -0.990979
C 0.068882 -4.218006 0.450353
C -0.539353 2.900162 2.342859
C -6.167791 0.036175 -0.613080
C 0.461014 2.237310 0.213713
C -4.839039 1.710596 -1.796588
C 0.456974 3.072690 1.355335
C -6.064875 1.032493 -1.612873
C 2.244520 -1.225656 0.286779
C 3.730610 0.392661 -0.922146
C 4.205641 1.103572 0.204640
C 4.237315 0.642413 -2.217455
C 5.213786 2.075940 0.007156
C 5.239901 1.619351 -2.392520
C 5.734137 2.340729 -1.279804
H -3.027694 -0.223892 1.910779
H -0.333999 -1.131333 1.980648
H -1.162755 -2.698109 2.349845
H 1.220323 -3.024290 1.793130
H -2.292935 1.766535 2.958508
H -5.130100 -1.054938 0.958424
H -0.509072 0.577702 -0.814364
H -2.781460 1.941383 -1.131165
H 0.928031 -2.141663 -1.037969
H -0.546108 3.536590 3.234830
H -7.114705 -0.493745 -0.460763
H 1.237892 2.357574 -0.549415
H -4.752614 2.487587 -2.564539
H 1.228674 3.840821 1.477336
H -6.931126 1.278723 -2.237154
H -0.218407 -5.204765 -1.232849
H 3.813793 0.890655 1.199982
H 3.841702 0.070400 -3.062139
H 5.592985 2.626921 0.875042
H 5.634411 1.813332 -3.395855
H 6.514914 3.096679 -1.415226


