%chk=000186327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186327

0 1
S 1.268073 1.395521 0.873460
O 3.657022 -0.354910 1.728644
O 2.468490 -1.728027 0.408486
N 3.969997 -0.227343 -1.662683
C -1.223199 0.356504 0.185722
C -2.612435 0.535326 -0.068923
C -0.450860 1.518151 0.499243
C -0.672774 -0.957455 0.116660
C 2.022316 1.140334 -0.767164
C -1.460743 -2.040025 -0.207671
C 3.343972 0.418536 -0.486138
C -3.412087 -0.604122 -0.404485
C -3.186770 1.841254 0.018182
C -1.017404 2.767069 0.577416
C -2.855436 -1.853766 -0.476644
C -2.411338 2.928906 0.338553
C -0.886749 -3.416129 -0.279910
C 3.073332 -0.689792 0.536846
H 0.386997 -1.113202 0.342381
H 2.183835 2.108401 -1.272026
H 1.348329 0.545199 -1.413111
H 4.097455 1.138625 -0.049404
H -4.473546 -0.455097 -0.600239
H -4.253918 1.956015 -0.172996
H -0.422228 3.649549 0.820922
H -3.460181 -2.721933 -0.732423
H -2.844107 3.924917 0.412010
H -1.328087 -4.072977 0.482979
H -1.066513 -3.880266 -1.258786
H 0.203438 -3.423427 -0.114801
H 4.194931 0.457094 -2.378074
H 3.358371 -0.929152 -2.075898
H 3.489117 -1.025877 2.445172


%chk=000186327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186327

0 1
S 1.204132 1.538304 1.004519
O 4.141139 -0.858079 1.507352
O 2.545571 -1.841155 0.137443
N 4.087658 0.049653 -1.663431
C -1.336478 0.429410 0.215096
C -2.738646 0.581502 -0.130372
C -0.581750 1.620313 0.524692
C -0.768543 -0.886544 0.227567
C 1.999235 1.038620 -0.663678
C -1.519550 -2.020498 -0.105239
C 3.396323 0.418956 -0.421085
C -3.493740 -0.591515 -0.464776
C -3.337389 1.883536 -0.121305
C -1.195556 2.877673 0.526002
C -2.902429 -1.853851 -0.459273
C -2.583925 3.010590 0.210366
C -0.894305 -3.403412 -0.086104
C 3.280138 -0.864156 0.414162
H 0.280570 -1.007407 0.515658
H 2.088165 1.939416 -1.292303
H 1.332923 0.304490 -1.146740
H 4.035297 1.125772 0.134207
H -4.552564 -0.477407 -0.727444
H -4.399170 1.980618 -0.377920
H -0.600851 3.765131 0.764362
H -3.494884 -2.738916 -0.722388
H -3.043638 4.004609 0.220939
H -1.326756 -4.025987 0.721080
H -1.076310 -3.938449 -1.037356
H 0.195554 -3.344982 0.071621
H 4.638875 0.775295 -2.119310
H 3.581987 -0.580740 -2.287981
H 4.066216 -1.722888 1.996937


