%chk=000179117.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179117

0 1
S -0.960866 -3.458562 -1.021388
O 1.087426 0.649310 0.850395
O 1.397237 4.055851 0.456749
O 0.799581 -1.309896 -1.326289
O 2.655162 -2.195904 -0.281954
O -2.321634 1.558205 -0.896944
O -2.575464 1.253903 1.329351
N -2.181414 -2.992822 0.014586
N 0.645906 -3.387780 -0.430843
C 1.441204 1.868282 1.668206
C 2.157518 2.857513 0.664017
C 2.164668 2.099851 -0.633431
C 1.553436 0.838830 -0.424339
C 2.391093 1.342972 2.728076
C 0.124749 2.377075 2.203098
C 2.649723 2.447115 -1.884175
C 1.468104 -0.086941 -1.471265
C 2.546999 1.516560 -2.934184
C 1.976628 0.257801 -2.732618
C -2.387782 -3.778207 1.265044
C -2.719679 -1.616294 -0.041024
C 1.497719 -2.306138 -0.618784
C -3.890477 -3.952613 1.527407
C -1.688509 -3.129944 2.467473
C -1.645246 -0.524241 -0.073017
C 1.158534 -4.535733 0.350279
C -2.223282 0.819620 0.253344
C -2.728241 2.961904 -0.797156
C -1.476532 3.810784 -0.805635
H 3.174838 3.138655 1.006391
H 3.268001 0.854389 2.278295
H 1.901838 0.572784 3.342783
H 2.740774 2.130277 3.402496
H 0.239535 3.018067 3.080456
H -0.543403 1.545315 2.489084
H -0.436134 2.943712 1.429071
H 3.099296 3.424857 -2.051669
H 1.452770 4.629427 1.249304
H 2.925435 1.780343 -3.920230
H 1.911367 -0.468420 -3.543658
H -1.943159 -4.798728 1.093913
H -3.406437 -1.445679 0.822928
H -3.345046 -1.541151 -0.964789
H -4.405663 -4.341379 0.639879
H -4.379605 -3.011237 1.802984
H -4.061834 -4.659425 2.346654
H -0.612795 -3.006354 2.295252
H -1.812542 -3.736828 3.370496
H -2.089822 -2.133501 2.692252
H -0.811823 -0.729773 0.640949
H -1.150994 -0.503216 -1.078844
H 2.258464 -4.478719 0.468507
H 0.709632 -4.558905 1.357773
H 0.922829 -5.482160 -0.166198
H -3.342274 3.102710 0.110544
H -3.342192 3.082751 -1.707377
H -1.707912 4.880275 -0.813616
H -0.832735 3.612149 0.075860
H -0.845270 3.594864 -1.679469


%chk=000179117-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179117

0 1
S -0.908910 -3.489327 -1.011700
O 1.285512 0.804855 0.906626
O 1.173270 4.096911 0.515668
O 0.889049 -1.166992 -1.260260
O 2.673364 -1.895588 0.108682
O -2.573812 1.192638 -0.689378
O -2.353592 1.745658 1.567177
N -2.214342 -2.957177 0.009236
N 0.732052 -3.196084 -0.156456
C 1.908746 1.944662 1.721323
C 2.220070 3.063107 0.652195
C 2.257395 2.283058 -0.644923
C 1.686680 1.012978 -0.413289
C 3.218417 1.383079 2.302428
C 0.884860 2.333704 2.786250
C 2.659193 2.663400 -1.936688
C 1.529884 0.085648 -1.461584
C 2.490590 1.740242 -2.998817
C 1.931725 0.460305 -2.758691
C -2.758409 -3.883175 1.051867
C -2.657177 -1.545594 -0.072032
C 1.530151 -2.086537 -0.372436
C -4.279361 -4.097992 0.859131
C -2.435961 -3.453420 2.504506
C -1.850571 -0.549581 0.807077
C 1.224565 -4.255270 0.746754
C -2.280787 0.898951 0.643593
C -2.922109 2.611366 -1.024508
C -1.679491 3.362092 -1.507356
H 3.184824 3.552045 0.899924
H 3.916427 1.090604 1.498352
H 3.007590 0.486245 2.907861
H 3.711082 2.136365 2.945067
H 1.266474 3.169639 3.403584
H 0.701697 1.479113 3.459613
H -0.078231 2.619014 2.333306
H 3.079254 3.657547 -2.120101
H 1.108221 4.605344 1.365300
H 2.796291 2.009889 -4.014670
H 1.803407 -0.261791 -3.571333
H -2.252235 -4.846907 0.854189
H -3.727731 -1.512217 0.205769
H -2.581670 -1.220505 -1.122022
H -4.499428 -4.415928 -0.174469
H -4.853790 -3.178406 1.073655
H -4.637406 -4.880344 1.553275
H -1.357021 -3.256778 2.634767
H -2.730020 -4.256549 3.205456
H -2.994796 -2.543621 2.788983
H -1.919591 -0.790093 1.879206
H -0.783656 -0.601551 0.525387
H 2.302954 -4.105638 0.918352
H 0.705836 -4.221183 1.723793
H 1.055937 -5.243725 0.286890
H -3.363714 3.082302 -0.128442
H -3.681974 2.511733 -1.817321
H -1.972371 4.371271 -1.855276
H -0.930965 3.480834 -0.706422
H -1.204691 2.832972 -2.352067


