%chk=000281341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281341

0 1
S 2.201670 -1.591997 -0.372986
S 4.687650 1.962925 0.592228
O 2.548696 -2.482718 0.693616
O 2.558630 -1.829205 -1.739649
N 2.766679 0.022856 0.063024
N 5.128605 -0.516233 -0.071864
N -3.670284 -0.652864 -0.144782
N 6.347324 0.043498 0.083628
N -4.211720 0.424604 0.142457
N -6.546936 1.011708 2.535059
N -6.529755 2.136063 -1.652026
C 0.501520 -1.246495 -0.287141
C -0.188268 -1.446460 0.913361
C -0.178689 -0.816719 -1.431531
C -1.559422 -1.195819 0.987835
C -1.549738 -0.559684 -1.380870
C -2.228756 -0.756606 -0.166735
C 4.106839 0.323973 0.149529
C 6.361194 1.314713 0.425158
C 7.513639 2.186895 0.664296
C -5.726487 0.386145 0.125905
C -6.182996 0.745929 1.473946
C -6.173403 1.373747 -0.864028
H 0.344818 -1.809268 1.803024
H 0.361913 -0.686119 -2.379161
H 2.113953 0.788117 0.265669
H -2.099760 -1.347878 1.922807
H -2.082629 -0.221779 -2.270312
H 8.465194 1.637846 0.520720
H 7.536446 3.045078 -0.027613
H 7.529296 2.582664 1.693304
H -6.156420 -0.634619 -0.149966


%chk=000281341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281341

0 1
S 2.220891 -1.596015 0.099367
S 4.874549 2.137337 0.072271
O 2.417410 -2.199724 1.585005
O 2.660875 -2.404683 -1.228702
N 2.870376 0.160980 0.028787
N 5.138998 -0.532389 0.285744
N -3.669395 -0.192505 -0.642582
N 6.439723 -0.021273 0.369040
N -4.377221 0.083736 0.404337
N -7.434670 -1.358960 1.190964
N -6.340929 2.929951 0.626466
C 0.393406 -1.108524 -0.096302
C -0.350021 -0.860712 1.073790
C -0.140986 -1.090862 -1.394111
C -1.714553 -0.547253 0.931467
C -1.510829 -0.777442 -1.525894
C -2.285709 -0.500668 -0.371435
C 4.218424 0.419961 0.133381
C 6.533091 1.294004 0.283304
C 7.801219 2.086197 0.343281
C -5.824326 0.391831 -0.020245
C -6.723916 -0.564831 0.658702
C -6.127342 1.790542 0.351727
H 0.125209 -0.936440 2.057406
H 0.483407 -1.337277 -2.258710
H 2.168152 0.892298 -0.096408
H -2.343574 -0.344209 1.803046
H -1.995823 -0.744399 -2.505982
H 8.643386 1.387467 0.472618
H 7.962649 2.665817 -0.583355
H 7.797565 2.795179 1.190613
H -5.921232 0.275163 -1.120688


