%chk=000215462.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215462

0 1
S 5.541349 0.008883 -0.641687
S 2.211301 0.359559 2.732380
O -1.828316 2.401231 -0.719951
O -1.760268 -2.522819 -0.092332
O -3.355625 -0.132831 -0.803293
N 3.062341 0.129409 0.266143
C 2.940449 -0.005446 -1.218328
C 4.238722 -0.568150 -1.775024
C 4.439576 0.217651 0.798234
C 1.997306 0.183690 1.098982
C 0.620989 0.093886 0.545776
C 0.006896 -1.155226 0.441603
C -0.025846 1.259598 0.132542
C -1.352316 1.179258 -0.336762
C -1.319383 -1.231247 -0.028797
C -2.030066 -0.061045 -0.383232
C -3.085289 2.481848 -1.442122
C -3.015527 -2.815475 -0.760580
C -4.295525 -0.002245 0.304900
H 2.715125 0.999617 -1.650702
H 2.075755 -0.667384 -1.463475
H 4.236520 -1.673795 -1.818159
H 4.456578 -0.198377 -2.794045
H 4.627999 1.205462 1.281755
H 4.626804 -0.575108 1.562163
H 0.513149 -2.069280 0.749547
H 0.455001 2.234719 0.196565
H -3.003414 3.463546 -1.924060
H -3.907498 2.454285 -0.722054
H -3.177266 1.673499 -2.175624
H -3.129569 -2.221673 -1.674010
H -3.837512 -2.627471 -0.064679
H -2.908117 -3.884802 -0.978974
H -4.147439 -0.814650 1.022228
H -5.262984 -0.080119 -0.200313
H -4.170901 0.969104 0.792186


%chk=000215462-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215462

0 1
S 5.512377 0.671603 -0.722154
S 2.326913 -0.861019 2.627567
O -1.733761 2.345320 -0.819375
O -2.450192 -2.361862 0.576961
O -3.548392 0.104663 -0.447206
N 3.005208 0.155501 0.207672
C 2.867179 0.454096 -1.249177
C 4.185760 0.037637 -1.914581
C 4.400591 0.163065 0.724289
C 1.997764 -0.282028 1.035930
C 0.585611 -0.208378 0.545474
C -0.273454 -1.321423 0.723339
C 0.069108 0.980826 -0.030276
C -1.296818 1.084284 -0.379277
C -1.624700 -1.238743 0.342031
C -2.167385 -0.022192 -0.168626
C -2.572937 2.397027 -2.037249
C -3.092239 -2.934691 -0.628996
C -4.406589 0.061990 0.766878
H 2.699462 1.536273 -1.404079
H 2.004021 -0.097902 -1.655744
H 4.275056 -1.055806 -2.016640
H 4.335456 0.526018 -2.889119
H 4.517268 0.890370 1.543135
H 4.665408 -0.841562 1.092818
H 0.099777 -2.244364 1.174789
H 0.689239 1.873103 -0.157261
H -2.796901 3.465077 -2.179481
H -3.498572 1.814675 -1.904469
H -2.004667 2.013813 -2.907099
H -2.320211 -3.319567 -1.322143
H -3.718235 -2.181927 -1.140428
H -3.711075 -3.766699 -0.260484
H -4.262683 -0.891261 1.305346
H -5.439789 0.147575 0.397551
H -4.164598 0.914611 1.426887


