%chk=000291498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291498

0 1
S -3.536552 -1.532096 -0.805995
S 4.296439 -1.423182 0.421691
O -3.836302 -2.838339 -0.247167
O -2.978171 -1.457181 -2.143283
O 3.931613 -2.264362 -0.709842
O 4.647035 -2.054962 1.673613
N -2.439470 -0.767232 0.264233
N 2.982252 -0.367190 0.745781
C -0.527253 -0.009038 1.557532
C 0.780808 0.585022 0.987452
C -1.415185 1.142695 2.058383
C 0.490231 1.529400 -0.191635
C -1.474702 2.331767 1.132178
C -0.602321 2.518509 0.124340
C -1.192180 -0.913255 0.513999
C 1.721002 -0.528825 0.538972
C -0.244480 -1.917474 -0.099347
C 1.082389 -1.701675 -0.090173
C -2.587016 3.282436 1.453898
C -0.631952 3.696231 -0.800201
C -0.820398 -3.140116 -0.712822
C -4.921698 -0.509393 -0.684849
C 5.533865 -0.319498 -0.065196
C -5.003726 0.650678 -1.461354
C -5.960091 -0.849072 0.188521
C 6.148255 0.506100 0.880774
C 5.922591 -0.264677 -1.407860
C -6.127991 1.476271 -1.362476
C -7.084500 -0.024308 0.287411
C 7.153535 1.393634 0.482439
C 6.927561 0.620806 -1.806667
C -7.166259 1.137927 -0.487673
C 7.541210 1.449814 -0.860351
H -0.282198 -0.668914 2.431894
H 1.275726 1.180546 1.801128
H -1.042799 1.482231 3.047835
H -2.445353 0.761549 2.237132
H 0.193945 0.948354 -1.091717
H 1.424601 2.060710 -0.468356
H 1.769856 -2.420007 -0.573766
H -2.549348 4.196776 0.843935
H -2.558770 3.594122 2.505798
H -3.563694 2.811424 1.272154
H 0.285971 4.292738 -0.709931
H -1.476483 4.370486 -0.595448
H -0.719229 3.377482 -1.847568
H -1.645408 -3.583534 -0.125957
H -0.076002 -3.940313 -0.844805
H -1.219008 -2.930695 -1.727524
H -4.195019 0.910727 -2.152635
H -5.897651 -1.764667 0.788262
H 5.849956 0.458341 1.933008
H 5.443994 -0.920111 -2.145673
H -6.195383 2.378597 -1.968095
H -7.895369 -0.288289 0.964642
H 7.633730 2.036996 1.217877
H 7.233217 0.663307 -2.850794
H -8.043840 1.781222 -0.411242
H 8.325722 2.140808 -1.171177


%chk=000291498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291498

0 1
S -3.570774 -1.693527 -0.791634
S 4.294324 -1.443806 0.116090
O -4.015097 -3.117108 -0.124647
O -3.000915 -1.628566 -2.324853
O 3.941475 -2.187094 -1.302927
O 4.578323 -2.327554 1.455102
N -2.456391 -0.671942 0.466777
N 2.994381 -0.063778 0.606921
C -0.494827 0.107259 1.608897
C 0.757014 0.731999 0.935047
C -1.404316 1.230701 2.136316
C 0.338871 1.631595 -0.257066
C -1.603494 2.400688 1.173051
C -0.808237 2.584121 0.076942
C -1.164247 -0.864473 0.605083
C 1.714144 -0.372115 0.487102
C -0.241043 -1.871282 -0.008885
C 1.115678 -1.616401 -0.014540
C -2.768442 3.292378 1.561211
C -0.971862 3.696164 -0.944149
C -0.770001 -3.162011 -0.586993
C -5.046649 -0.525139 -0.686787
C 5.767021 -0.308123 -0.184087
C -5.139992 0.504311 -1.635657
C -6.000189 -0.761127 0.315611
C 6.544260 0.066917 0.922888
C 6.039492 0.077833 -1.505550
C -6.263827 1.360159 -1.562407
C -7.116202 0.106001 0.371961
C 7.664313 0.896033 0.682123
C 7.164708 0.906350 -1.725041
C -7.242563 1.163866 -0.559569
C 7.968291 1.315981 -0.634838
H -0.163581 -0.525844 2.458083
H 1.272234 1.360263 1.683871
H -0.974097 1.611679 3.086879
H -2.395602 0.810392 2.391109
H 0.052362 1.004553 -1.128359
H 1.223545 2.212977 -0.582996
H 1.792607 -2.364528 -0.444039
H -2.795330 4.247624 1.014011
H -2.732810 3.527987 2.643322
H -3.729645 2.768869 1.382722
H -0.091434 4.369967 -0.941920
H -1.869512 4.312363 -0.779835
H -1.039462 3.273186 -1.966563
H -1.540509 -3.623448 0.055935
H 0.052068 -3.880836 -0.734778
H -1.246980 -2.981788 -1.570721
H -4.376085 0.615469 -2.411676
H -5.884351 -1.602459 1.006070
H 6.294010 -0.292582 1.925948
H 5.409808 -0.276906 -2.327871
H -6.373859 2.172354 -2.288363
H -7.883472 -0.048596 1.137605
H 8.296478 1.209030 1.519510
H 7.412266 1.225290 -2.742782
H -8.111178 1.829505 -0.510581
H 8.839006 1.956468 -0.812765


