%chk=000239919.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239919

0 1
S 3.959991 -0.129574 -0.558896
S -3.960784 -0.135662 0.557302
S 0.446264 -2.166658 -0.917396
S -0.444636 -2.167882 0.919665
O 5.192802 0.233757 -1.212567
O 3.867971 -0.251973 0.876863
O -5.195122 0.226072 1.208977
O -3.866329 -0.257998 -0.878306
O 3.817958 -4.560975 1.026897
O -3.810651 -4.567545 -1.027323
O 5.043916 -4.106601 -0.796759
O -5.039708 -4.114217 0.794505
N 3.550651 -1.694605 -1.189977
N -3.550343 -1.700120 1.189081
C 3.042204 -2.727698 -0.278158
C -3.039302 -2.732627 0.278044
C 2.647941 0.855293 -1.186184
C -2.651095 0.850992 1.186706
C 1.776707 -3.381805 -0.845725
C -1.773462 -3.384738 0.847140
C 2.805574 2.284827 -0.771050
C -2.809510 2.280131 0.770514
C 4.099187 -3.833665 -0.099716
C -4.094436 -3.840193 0.098625
C 3.876752 3.045357 -1.268367
C -3.882503 3.039724 1.265343
C 1.874431 2.874177 0.096728
C -1.877336 2.870058 -0.095764
C 4.005747 4.386718 -0.903250
C -4.012284 4.380744 0.899254
C 2.010003 4.218773 0.455666
C -2.013707 4.214311 -0.455682
C 3.071812 4.977496 -0.044641
C -3.077339 4.972109 0.042149
H 2.831214 -2.288413 0.748878
H -2.827819 -2.293227 -0.748853
H 2.589026 0.797432 -2.298430
H 1.656354 0.453633 -0.870534
H -2.594365 0.793772 2.299096
H -1.658418 0.450291 0.873262
H 4.121780 -2.078409 -1.960074
H -4.122041 -2.084598 1.958417
H 1.491652 -4.272712 -0.249467
H 1.934357 -3.738963 -1.887810
H -1.931650 -3.741648 1.889232
H -1.486604 -4.275520 0.251554
H 4.620712 2.585660 -1.924603
H -4.627205 2.579553 1.920399
H 1.051406 2.289185 0.502580
H -1.052875 2.285764 -0.499696
H 4.840353 4.973115 -1.287125
H -4.848288 4.966414 1.281191
H 1.285101 4.672785 1.130805
H -1.287986 4.668775 -1.129638
H 3.176041 6.023681 0.237117
H -3.182187 6.018027 -0.240370
H 4.489353 -5.275946 1.206109
H -4.480774 -5.283558 -1.207138


%chk=000239919-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239919

0 1
S 3.887875 -0.198858 -0.415738
S -3.889524 -0.206343 0.414969
S 0.271403 -1.924093 -1.105595
S -0.271583 -1.925016 1.106025
O 5.461660 0.174684 -0.583830
O 3.193911 -0.318496 1.060345
O -5.463959 0.164980 0.581879
O -3.194300 -0.324888 -1.060610
O 3.211230 -5.034042 0.555505
O -3.205080 -5.041199 -0.554937
O 5.002879 -4.157607 -0.636278
O -4.998820 -4.167198 0.635493
N 3.586970 -1.857403 -1.304850
N -3.586960 -1.864567 1.304148
C 2.905136 -2.852496 -0.450992
C -2.903172 -2.858666 0.450672
C 2.785081 0.997719 -1.579204
C -2.789161 0.991551 1.579348
C 1.568270 -3.301591 -1.086961
C -1.565618 -3.305153 1.087009
C 2.843184 2.397529 -1.088989
C -2.847158 2.391055 1.088254
C 3.833157 -4.050339 -0.208743
C -3.829046 -4.058184 0.208540
C 3.822556 3.295942 -1.593497
C -3.826464 3.289916 1.592063
C 1.923031 2.852363 -0.105553
C -1.926739 2.845152 0.104720
C 3.867250 4.629298 -1.136207
C -3.870797 4.623038 1.134030
C 1.966934 4.186565 0.348092
C -1.970294 4.179100 -0.349683
C 2.937739 5.078106 -0.167874
C -2.941011 5.071124 0.165633
H 2.682073 -2.405884 0.548546
H -2.680699 -2.411967 -0.548968
H 3.265361 0.812791 -2.551293
H 1.813882 0.486076 -1.498415
H -3.270682 0.806956 2.550883
H -1.817581 0.480385 1.500126
H 4.542824 -2.177920 -1.573241
H -4.542565 -2.186419 1.571839
H 1.141967 -4.160247 -0.545769
H 1.708588 -3.559222 -2.151147
H -1.705716 -3.563092 2.151149
H -1.137440 -4.162931 0.545905
H 4.548915 2.944020 -2.334860
H -4.552993 2.938578 2.333538
H 1.189286 2.153846 0.311969
H -1.193171 2.146149 -0.312309
H 4.625015 5.315948 -1.528283
H -4.628481 5.310067 1.525603
H 1.251132 4.528990 1.103035
H -1.254293 4.520983 -1.104683
H 2.973270 6.114152 0.186740
H -2.976254 6.106988 -0.189541
H 3.843877 -5.785426 0.718499
H -3.836395 -5.793707 -0.717909


