%chk=000277277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277277

0 1
S -1.925140 -4.335000 -0.491078
S 5.725966 -0.522635 1.475591
O -2.513777 1.939617 1.856325
O -6.073252 -0.770431 -0.967666
O -1.132659 -4.052240 -1.950725
O -0.906194 -4.883398 0.359623
O -3.092320 -5.121014 -0.834679
O 4.764185 -1.783119 0.906552
O 5.057624 0.051318 2.611314
O 7.017566 -1.144498 1.661040
N -0.635031 0.038469 1.686312
N -4.624432 -2.943202 -0.929482
N 8.322326 1.925856 -2.175086
C -2.884595 -0.042992 0.590213
C -3.873216 -0.783057 -0.083490
C -1.651312 -0.626068 0.925880
C -3.645545 -2.175143 -0.378140
C -2.363190 -2.740600 -0.070266
C -4.254606 2.092605 0.268551
C -3.157262 1.388965 0.983976
C -5.213631 1.353725 -0.443492
C -5.126831 -0.136998 -0.518270
C -1.406995 -1.977814 0.581777
C 0.630363 0.336921 1.107576
C -4.345328 3.486959 0.331689
C -6.263204 2.014596 -1.089075
C 3.223066 0.852063 0.159638
C 4.569884 1.137382 -0.376189
C 1.004597 -0.086783 -0.182437
C 1.554866 1.040843 1.914750
C -5.392054 4.145840 -0.326843
C -6.347490 3.412496 -1.032884
C 2.296365 0.168069 -0.641339
C 2.839830 1.282486 1.443617
C 5.733850 0.552222 0.127924
C 4.675281 2.031672 -1.467062
C 6.982935 0.829134 -0.441960
C 7.079298 1.717793 -1.526163
C 5.904701 2.327110 -2.034228
H -0.432285 -2.416415 0.861627
H -0.993695 0.740591 2.356587
H -3.600409 4.051541 0.900171
H -7.014053 1.430488 -1.631067
H -4.505994 -3.948244 -1.129196
H -5.549255 -2.546500 -1.145807
H 0.302180 -0.602803 -0.830772
H 1.276026 1.368825 2.914826
H -5.459862 5.233670 -0.281382
H -7.165646 3.925200 -1.541022
H 2.589467 -0.174298 -1.635203
H 3.563580 1.793288 2.087356
H 3.768084 2.494888 -1.859737
H 7.883950 0.339871 -0.053780
H 5.968711 3.014262 -2.877173
H -0.481677 -4.715516 -2.225476
H 9.146776 1.719549 -1.626859
H 8.416958 2.796799 -2.678265
H 4.957202 -2.659147 1.273980


%chk=000277277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277277

0 1
S -1.663884 -4.018823 -1.047450
S 5.810961 0.007928 2.241985
O -2.526160 2.542334 0.866158
O -6.418241 -1.112735 -0.570258
O -1.468990 -3.671453 -2.864362
O -0.203571 -4.270118 -0.407032
O -2.827458 -5.143389 -0.874512
O 4.758630 -1.454676 1.823439
O 4.928958 1.017137 3.154857
O 7.221461 -0.503197 2.846084
N -0.659215 0.877079 0.350022
N -4.643607 -2.940389 -0.964133
N 9.231346 1.069731 -1.489078
C -3.035897 0.310797 0.072674
C -4.053544 -0.654773 -0.265072
C -1.636990 -0.050733 0.034526
C -3.701601 -2.009828 -0.638250
C -2.293219 -2.309173 -0.603493
C -4.844134 2.052762 0.491695
C -3.416087 1.672809 0.489980
C -5.845199 1.106982 0.131543
C -5.479800 -0.278391 -0.252222
C -1.297400 -1.401677 -0.292170
C 0.742170 0.801733 0.150213
C -5.219538 3.370419 0.862738
C -7.210999 1.489943 0.143937
C 3.586857 0.838883 -0.191917
C 5.054794 0.879851 -0.450099
C 1.344915 0.132427 -0.950955
C 1.576958 1.510151 1.056609
C -6.576021 3.742415 0.870544
C -7.575179 2.798973 0.509733
C 2.742713 0.153028 -1.107592
C 2.972343 1.532051 0.886815
C 6.106252 0.589492 0.454559
C 5.510437 1.231981 -1.757820
C 7.474565 0.634635 0.153390
C 7.884087 1.005556 -1.157325
C 6.866241 1.300618 -2.111020
H -0.257851 -1.739535 -0.242750
H -1.079437 1.768295 0.720280
H -4.428889 4.074524 1.138006
H -7.958340 0.741742 -0.135986
H -4.374004 -3.919461 -1.113644
H -5.624667 -2.603458 -0.939992
H 0.729781 -0.366294 -1.706130
H 1.123091 2.041177 1.900623
H -6.863173 4.760128 1.155456
H -8.630608 3.091322 0.517841
H 3.190067 -0.387700 -1.948994
H 3.585793 2.087960 1.599820
H 4.752526 1.486950 -2.506372
H 8.206084 0.353995 0.919436
H 7.145387 1.589528 -3.130935
H -1.169105 -4.519970 -3.305093
H 9.949941 0.853445 -0.804000
H 9.524816 1.321459 -2.428522
H 4.186330 -1.637268 2.624818


