%chk=000193860.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193860

0 1
S -0.632233 1.202733 -1.660307
P -1.723854 -2.333375 1.392588
P -1.622810 -2.246884 -1.647956
P -4.045670 -3.898808 -1.301427
O 5.782177 -0.347651 -1.302627
O 5.511522 2.543299 0.270504
O 7.865592 1.714251 0.163205
O -0.086724 -2.871626 1.268491
O -2.356120 -2.514423 -0.122769
O -2.332127 -3.664200 2.060013
O -1.920394 -1.076249 2.105053
O -3.028919 -2.981854 -2.209009
O -2.057315 -0.743784 -2.116651
O -0.394412 -2.899163 -2.061868
O -3.072014 3.969059 -2.935324
O -1.515308 2.442299 -2.932425
O -4.470637 3.576839 3.283198
O -5.222666 4.704440 1.593490
O -3.047042 -4.768716 -0.274297
O -4.833232 -2.853452 -0.341550
O -4.900041 -4.781885 -2.082921
N 3.859627 -0.628597 0.022926
N 3.071218 -2.496901 1.129512
N 1.658921 0.308717 -0.741195
N -0.234147 -1.123520 -0.176527
N -2.401691 3.143816 -2.359484
N -4.484883 3.879622 2.104667
C 5.540548 1.162522 0.562674
C 4.804360 0.360897 -0.554805
C 7.004892 0.634674 0.537470
C 7.087557 -0.364741 -0.639247
C 7.402717 -1.785607 -0.225543
C 2.477529 -0.621430 -0.135853
C 4.162313 -1.813525 0.786680
C 1.990069 -1.793005 0.572243
C 0.598691 -1.970454 0.550796
C 0.353377 0.014126 -0.736079
C -1.688474 1.864441 -0.425709
C -2.546255 2.864341 -0.948718
C -1.754727 1.545698 0.936150
C -3.472099 3.540306 -0.133945
C -2.671632 2.193144 1.751241
C -3.523947 3.192708 1.212816
H 5.045999 1.093570 1.555399
H 4.255587 1.008799 -1.289949
H 7.332147 0.215001 1.507686
H 7.776610 0.008824 -1.436240
H 8.442786 -1.888323 0.111391
H 6.747589 -2.159228 0.575552
H 7.269390 -2.471272 -1.079305
H 6.114079 2.750468 -0.500225
H 7.914200 2.378271 0.894030
H 5.194268 -2.081862 1.011399
H -1.114729 0.767658 1.378302
H -4.130791 4.316611 -0.553726
H -2.554637 -4.446605 1.420437
H -2.750665 1.935824 2.818996
H -2.932993 -0.702797 -2.632379
H -3.008671 -5.748174 -0.445933
H -4.338209 -2.123646 0.116580


%chk=000193860-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193860

0 1
S 0.159932 2.853225 -1.026329
P -2.259336 -1.444673 1.081956
P -2.207678 -1.803827 -2.193260
P -3.706419 -4.488235 -1.556229
O 6.015693 -1.030555 -1.206489
O 6.247812 2.059162 -0.336090
O 8.065792 0.797860 1.190608
O -0.531067 -1.817864 0.906425
O -2.862668 -1.643978 -0.559547
O -2.772176 -2.881830 1.752637
O -2.715761 -0.132548 1.818679
O -2.606943 -3.466451 -2.440674
O -3.396950 -1.055294 -3.101951
O -0.683772 -1.460571 -2.386031
O -3.771218 1.364018 -2.213107
O -2.131190 2.828676 -2.847386
O -4.689570 3.109071 3.767677
O -6.004433 2.617930 1.967159
O -2.792602 -4.718598 -0.067527
O -4.944948 -3.494648 -0.985089
O -4.102800 -5.814618 -2.291515
N 3.842617 -0.714151 -0.319766
N 2.500504 -2.382465 0.528478
N 2.150028 1.067012 -0.608244
N -0.073945 0.331557 0.055137
N -2.862353 2.277024 -1.957109
N -4.864779 2.864793 2.514960
C 5.735504 0.855466 0.301290
C 5.052121 -0.004890 -0.798174
C 6.932873 -0.032962 0.762019
C 7.325790 -0.776066 -0.532838
C 8.047846 -2.104780 -0.351519
C 2.560240 -0.178436 -0.252878
C 3.745237 -2.036465 0.154332
C 1.738394 -1.230157 0.284052
C 0.373225 -0.889434 0.418693
C 0.820166 1.240623 -0.429998
C -1.382419 2.879747 -0.020102
C -2.678916 2.622112 -0.543465
C -1.269907 3.132620 1.366676
C -3.825846 2.598666 0.274574
C -2.399134 3.139169 2.204489
C -3.662894 2.873067 1.638725
H 5.034212 1.111844 1.118476
H 4.761792 0.640509 -1.645199
H 6.625951 -0.745528 1.552120
H 7.917877 -0.084554 -1.164267
H 9.016916 -1.931929 0.149744
H 7.450694 -2.804965 0.260403
H 8.242495 -2.577619 -1.328494
H 7.139902 2.243949 0.072720
H 8.064892 0.908669 2.173375
H 4.605956 -2.698304 0.156681
H -0.277728 3.322474 1.785270
H -4.810438 2.364636 -0.137532
H -2.765336 -3.704821 1.125536
H -2.319390 3.335905 3.276410
H -3.544415 -0.052088 -2.942754
H -2.214963 -5.521550 -0.041435
H -4.648773 -2.583727 -0.684807


