%chk=000196052.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196052

0 1
S -9.240811 1.909722 -0.857047
S 6.009193 -1.236651 -0.806663
S 8.930485 -1.509268 -1.421337
O -9.169873 3.198985 -1.944076
O -9.390774 2.483976 0.449925
O -10.243098 1.025326 -1.379876
O 6.316793 2.473344 0.115016
N -3.420200 -0.297401 1.110206
N 7.673854 0.730566 -0.591630
C -4.839276 0.099228 1.310075
C -5.497053 0.498165 -0.021953
C -6.960300 0.903154 0.193446
C -3.069809 -1.608687 0.699701
C -7.625288 1.298788 -1.124535
C -1.712216 -1.909411 0.402056
C -2.438687 0.704143 1.163313
C -0.669794 -0.871576 0.485797
C -1.136718 0.446102 0.888270
C -4.058985 -2.618607 0.609497
C -1.394750 -3.231808 0.024379
C -3.703951 -3.906301 0.234363
C -2.367089 -4.218761 -0.061628
C 0.637342 -1.136821 0.200900
C 8.913680 1.560402 -0.553397
C 9.651136 1.387555 0.783201
C 1.707056 -0.170420 0.261991
C 6.399246 1.309736 -0.199329
C 5.338114 0.291194 -0.273561
C 7.675412 -0.604510 -0.941890
C 2.993003 -0.470413 -0.043532
C 10.892125 2.272736 0.829106
C 4.044929 0.517321 0.025776
H -5.393180 -0.744565 1.786527
H -4.883542 0.941355 2.038395
H -4.931972 1.329246 -0.489848
H -5.429969 -0.341848 -0.743774
H -7.016045 1.748042 0.917937
H -7.515189 0.064624 0.665533
H -7.000906 2.056183 -1.656344
H -7.628345 0.435606 -1.827922
H -2.783530 1.701557 1.460015
H -0.393714 1.240612 0.967687
H -5.098360 -2.394687 0.841610
H -0.352277 -3.477668 -0.204863
H -4.467069 -4.683221 0.168411
H -2.098254 -5.231715 -0.355226
H 0.929374 -2.148106 -0.098463
H 9.570024 1.275750 -1.407782
H 8.614784 2.625692 -0.699763
H 9.937808 0.325036 0.924966
H 8.974738 1.636403 1.625177
H 1.433923 0.846270 0.573613
H -9.999679 3.646723 -2.157645
H 11.599360 2.022703 0.029034
H 10.639989 3.335181 0.730865
H 11.423849 2.151178 1.780682
H 3.267861 -1.481407 -0.354416
H 3.755723 1.532149 0.349831


%chk=000196052-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196052

0 1
S -9.579378 1.854285 -0.617705
S 6.236604 -1.443555 -0.800419
S 9.284405 -1.589080 -1.362570
O -9.921488 2.436788 -2.355047
O -9.616827 3.102388 0.411567
O -10.449566 0.529229 -0.290898
O 6.437992 2.383039 0.198296
N -3.413547 -0.185741 1.011856
N 7.860338 0.627402 -0.523240
C -4.810674 0.233430 1.256630
C -5.568794 0.594436 -0.046323
C -7.033653 0.993883 0.260898
C -3.090127 -1.499111 0.587502
C -7.757152 1.384059 -1.027579
C -1.716755 -1.838359 0.301126
C -2.401637 0.764329 1.130763
C -0.643554 -0.824598 0.429224
C -1.081128 0.486513 0.862841
C -4.110934 -2.482004 0.449318
C -1.446995 -3.176573 -0.106621
C -3.799743 -3.790652 0.045808
C -2.457243 -4.142585 -0.234492
C 0.708024 -1.111307 0.149556
C 9.060702 1.494414 -0.475695
C 9.792991 1.409684 0.882172
C 1.798001 -0.198990 0.235497
C 6.580644 1.174675 -0.152711
C 5.534789 0.151171 -0.255218
C 7.923218 -0.707901 -0.889380
C 3.123521 -0.534579 -0.059394
C 11.044040 2.312835 0.890729
C 4.199713 0.397016 0.024633
H -5.346387 -0.560069 1.808052
H -4.785518 1.115062 1.921888
H -5.042295 1.428270 -0.549460
H -5.547962 -0.266053 -0.741195
H -7.053404 1.843897 0.970105
H -7.558380 0.146639 0.744520
H -7.368525 2.295364 -1.507851
H -7.872163 0.565921 -1.755438
H -2.722694 1.755047 1.463008
H -0.359301 1.294400 0.994506
H -5.153913 -2.233029 0.659762
H -0.417431 -3.468204 -0.328596
H -4.599350 -4.532425 -0.050473
H -2.206370 -5.160090 -0.549936
H 0.973255 -2.125591 -0.170280
H 9.732197 1.178616 -1.293637
H 8.708092 2.525436 -0.655530
H 10.082510 0.358991 1.070260
H 9.097844 1.715709 1.686197
H 1.608578 0.838252 0.547528
H -10.880784 2.713180 -2.411881
H 11.763134 2.005273 0.108639
H 10.775479 3.370696 0.710698
H 11.562079 2.257666 1.864708
H 3.346396 -1.564861 -0.374516
H 3.978222 1.428265 0.338599


