%chk=000286226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286226

0 1
S 2.436956 1.351071 0.955137
O 3.095006 1.467218 2.243557
O 2.359387 2.495614 0.090226
O 0.050218 0.476812 -0.622365
N -1.516496 0.560661 1.096110
N 0.811559 0.944900 1.477079
C -2.647590 0.124995 0.309079
C -3.326035 -1.057615 0.687980
C -3.090050 0.896476 -0.789695
C 3.015751 -0.033432 0.126790
C -4.461688 -1.447914 -0.032194
C -4.225733 0.467467 -1.496163
C -0.222708 0.639241 0.558460
C -4.905068 -0.689981 -1.119026
C -2.854729 -1.885269 1.840079
C -2.378385 2.135236 -1.211508
C 2.654479 -0.273274 -1.203225
C 3.881216 -0.916090 0.789585
C 3.157035 -1.396337 -1.871101
C 4.381739 -2.034995 0.124023
C 4.017706 -2.274340 -1.208519
H -1.668212 0.591580 2.101416
H -4.998613 -2.351038 0.250462
H -4.576760 1.047478 -2.348210
H 0.589309 1.068480 2.472605
H -5.786203 -1.007511 -1.675795
H -1.776915 -2.094411 1.775319
H -3.047671 -1.387360 2.799968
H -3.358880 -2.861232 1.883679
H -2.188810 2.811682 -0.366107
H -1.386649 1.881494 -1.637693
H -2.921407 2.706107 -1.973401
H 1.965954 0.409468 -1.723156
H 4.170074 -0.722990 1.829802
H 2.870107 -1.582859 -2.905410
H 5.054816 -2.720007 0.636766
H 4.409292 -3.150124 -1.728155


%chk=000286226-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286226

0 1
S 2.407910 1.399060 0.852985
O 3.114228 1.630688 2.300133
O 2.296542 2.605599 -0.215002
O -0.030579 0.411712 -0.768217
N -1.553196 0.414095 1.035838
N 0.724354 0.844994 1.402745
C -2.750217 0.092088 0.299996
C -3.478154 -1.070595 0.691642
C -3.206770 0.945565 -0.745763
C 3.157655 -0.130435 0.038935
C -4.677498 -1.379190 0.008915
C -4.403495 0.585690 -1.415498
C -0.286917 0.555298 0.460138
C -5.135523 -0.562235 -1.047714
C -2.972620 -1.965214 1.810606
C -2.470444 2.210841 -1.132270
C 2.904220 -0.363025 -1.321171
C 3.991627 -0.919277 0.846935
C 3.536352 -1.485190 -1.905502
C 4.610341 -2.035591 0.237930
C 4.380990 -2.315062 -1.130188
H -1.606162 0.335807 2.054051
H -5.243952 -2.271372 0.300183
H -4.766862 1.229059 -2.225144
H 0.542273 1.174631 2.359321
H -6.061112 -0.815901 -1.576029
H -1.923405 -2.271338 1.641220
H -3.013672 -1.466431 2.800880
H -3.586205 -2.878164 1.886634
H -2.126865 2.768261 -0.241273
H -1.566908 1.974187 -1.722867
H -3.118223 2.875176 -1.728813
H 2.233034 0.288963 -1.885577
H 4.161171 -0.657135 1.896113
H 3.363100 -1.708798 -2.962893
H 5.271064 -2.677095 0.829908
H 4.865920 -3.180464 -1.594791


