%chk=000210689.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210689

0 1
S 2.442125 1.842405 -0.959842
S -0.130760 2.884895 -2.053267
O 0.814953 0.744388 2.363136
N 0.217716 1.716481 0.353472
C 2.547498 1.015057 0.664083
C 3.020057 -0.427944 0.519821
C 2.070283 -1.319358 -0.290524
C 1.157233 1.101377 1.264271
C 2.569870 -2.771186 -0.321687
C -1.232830 1.749138 0.711573
C 0.692599 2.156871 -0.868944
C -1.898730 0.450987 0.325725
C 1.634506 -3.663717 -1.133527
C -2.637927 0.359527 -0.861008
C -1.775910 -0.668355 1.163149
C -3.259429 -0.845677 -1.202485
C -2.398273 -1.869485 0.816696
C -3.141962 -1.959311 -0.365322
H 3.262047 1.589102 1.309240
H 3.150304 -0.858217 1.538995
H 4.030808 -0.441571 0.060274
H 1.047872 -1.289740 0.137720
H 1.970663 -0.939914 -1.327523
H 2.657250 -3.164491 0.710366
H 3.590101 -2.812128 -0.751269
H -1.717265 2.624418 0.216246
H -1.310523 1.921404 1.813894
H 1.559928 -3.330363 -2.175469
H 0.618554 -3.666826 -0.720710
H 1.987314 -4.701030 -1.145674
H -2.724560 1.222661 -1.522006
H -1.190602 -0.597613 2.083070
H -3.834308 -0.915341 -2.124696
H -2.305103 -2.736404 1.468769
H -3.628299 -2.895640 -0.632748


%chk=000210689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210689

0 1
S 2.488885 1.920775 -1.033677
S -0.206626 3.002738 -2.061736
O 0.838096 0.656652 2.355767
N 0.219291 1.686984 0.331962
C 2.566411 1.022294 0.644748
C 3.071179 -0.438406 0.540676
C 2.185811 -1.369608 -0.315173
C 1.149418 1.094430 1.219191
C 2.746221 -2.808808 -0.381792
C -1.224473 1.742395 0.721243
C 0.693022 2.204090 -0.882021
C -1.980441 0.466446 0.365587
C 1.860150 -3.749275 -1.226522
C -2.647718 0.350174 -0.880610
C -2.035011 -0.613371 1.284626
C -3.352012 -0.830582 -1.206396
C -2.739954 -1.793476 0.958068
C -3.399491 -1.905511 -0.288424
H 3.237636 1.612762 1.292139
H 3.126988 -0.827202 1.577457
H 4.105071 -0.425991 0.144394
H 1.160186 -1.403127 0.105054
H 2.096983 -0.961558 -1.341386
H 2.841439 -3.213102 0.646585
H 3.771402 -2.784390 -0.805022
H -1.649765 2.617219 0.201708
H -1.233919 1.911404 1.811629
H 1.778009 -3.387026 -2.268442
H 0.836419 -3.806594 -0.811313
H 2.272781 -4.774292 -1.255651
H -2.606428 1.183141 -1.591592
H -1.520165 -0.524360 2.248076
H -3.865392 -0.910200 -2.171130
H -2.779574 -2.620630 1.675683
H -3.949232 -2.819595 -0.539910


