%chk=000225369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225369

0 1
S -3.346274 1.977198 -0.048604
S 3.349967 -1.979938 -0.067241
O -4.165129 3.064445 0.458941
O -2.598759 2.133376 -1.278830
O 4.169994 -3.070308 0.431634
O 2.600916 -2.127838 -1.297565
N -2.227096 1.731512 1.241170
N 2.232305 -1.743973 1.225691
N -6.494692 -3.006594 -0.203594
N 6.495265 3.006600 -0.191556
C -1.098471 0.867732 1.201333
C 1.103615 -0.879995 1.193605
C -4.256775 0.536055 -0.107743
C 4.259559 -0.537919 -0.117434
C -0.535854 0.440278 -0.016413
C 0.539539 -0.443617 -0.020299
C -0.543019 0.419758 2.419580
C 0.549542 -0.441071 2.415771
C -5.475935 0.449504 0.584173
C 5.478708 -0.454870 0.574941
C -3.806993 -0.565900 -0.853511
C 3.809025 0.568381 -0.856303
C -6.237358 -0.708816 0.548407
C 6.239344 0.704154 0.546407
C -4.544117 -1.739088 -0.908050
C 4.545338 1.742379 -0.903536
C -5.770261 -1.823310 -0.197577
C 5.771485 1.822981 -0.192614
H -2.328365 2.284801 2.099048
H 2.334792 -2.303442 2.079400
H -0.917553 0.815248 -0.973573
H 0.920080 -0.811586 -0.980623
H -0.967037 0.744790 3.367254
H 0.974612 -0.773139 3.360529
H -5.836642 1.315519 1.154676
H 5.840044 -1.324201 1.139965
H -2.862253 -0.499501 -1.408104
H 2.864307 0.504776 -1.411275
H -7.177241 -0.763459 1.088800
H 7.179214 0.756055 1.087083
H -4.180731 -2.586286 -1.482833
H 4.181364 2.592909 -1.472993
H -7.419784 -3.043933 0.185489
H -6.241430 -3.759336 -0.819027
H 7.419976 3.042495 0.198478
H 6.241080 3.763378 -0.801578


%chk=000225369-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225369

0 1
S -3.491100 2.067752 -0.767529
S 3.493913 -2.063602 -0.793388
O -4.304895 3.347854 -0.175016
O -3.190450 1.856330 -2.349045
O 4.308664 -3.348269 -0.212114
O 3.191946 -1.839329 -2.372844
N -1.701135 2.267763 0.076581
N 1.704914 -2.271540 0.050559
N -6.095282 -2.990078 1.325645
N 6.097553 2.977614 1.340138
C -0.880348 1.118281 0.104124
C 0.884405 -1.122268 0.091249
C -4.294908 0.506304 -0.127874
C 4.297433 -0.507187 -0.141314
C -0.419799 0.564258 -1.131304
C 0.422829 -0.554859 -1.137707
C -0.453219 0.525467 1.329802
C 0.458271 -0.542840 1.323647
C -5.130041 0.596150 1.002822
C 5.133196 -0.606113 0.988172
C -4.042826 -0.710512 -0.791934
C 4.044744 0.715001 -0.795196
C -5.736180 -0.575623 1.484848
C 5.739244 0.561808 1.479559
C -4.646641 -1.879830 -0.301851
C 4.648462 1.880405 -0.295757
C -5.498754 -1.832470 0.844868
C 5.501118 1.823839 0.850138
H -1.942432 2.647377 1.011298
H 1.947121 -2.661335 0.980830
H -0.749374 1.024690 -2.068133
H 0.751483 -1.005235 -2.079750
H -0.814160 0.931019 2.283378
H 0.819917 -0.958762 2.272470
H -5.324651 1.568228 1.468092
H 5.328397 -1.581934 1.445290
H -3.407607 -0.733469 -1.682755
H 3.409203 0.745227 -1.685568
H -6.402496 -0.525284 2.353704
H 6.406032 0.504437 2.347617
H -4.464999 -2.835248 -0.806850
H 4.466345 2.839902 -0.792785
H -6.711892 -2.964801 2.132934
H -5.938443 -3.885717 0.871785
H 6.714510 2.945896 2.146933
H 5.940240 3.876907 0.893730


