%chk=000083967.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000083967

0 1
S -1.266571 -1.241808 -1.343939
O -4.337442 -0.833423 0.584626
O -0.817347 -1.726091 1.426809
O -4.743609 -0.543888 -1.596206
O -2.693387 3.074299 0.967225
O 5.307437 0.116860 0.439033
N -2.343361 0.832842 0.778584
N 3.734841 0.099512 -1.245336
C -2.947448 0.776276 -0.558849
C -1.913994 0.430627 -1.632812
C 0.256220 -0.964946 -0.520397
C 1.380470 -0.500520 -1.196121
C -4.082968 -0.249846 -0.628679
C 2.607851 -0.386542 -0.508711
C 0.353369 -1.312615 0.834316
C 2.696066 -0.750883 0.851653
C 1.570571 -1.216042 1.526062
C -2.287141 2.044091 1.479578
C -1.682785 1.954230 2.850187
C 5.029690 0.325943 -0.724715
C 6.006952 0.842813 -1.741855
H -3.404342 1.793354 -0.795575
H -1.105966 1.186253 -1.653616
H -2.381961 0.430150 -2.641567
H -2.055421 -0.064073 1.187228
H 1.306073 -0.237474 -2.252240
H 3.654600 -0.667655 1.383565
H 1.642265 -1.499214 2.573372
H 3.562706 0.293298 -2.233214
H -1.655775 2.955367 3.312649
H -2.265269 1.306274 3.518670
H -0.650189 1.581263 2.827618
H -5.067644 -1.510493 0.530321
H -0.662558 -2.071253 2.343192
H 6.162316 0.143685 -2.574535
H 6.992557 0.993254 -1.266527
H 5.708695 1.812974 -2.161595


%chk=000083967-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083967

0 1
S -1.135204 -1.159246 -1.478216
O -4.852883 -0.546807 0.406742
O -0.672021 -1.455314 1.568632
O -4.575726 -0.470839 -1.894599
O -3.215856 2.893025 1.382540
O 5.663014 0.088079 0.257549
N -2.507137 0.730697 0.896378
N 3.954945 0.040845 -1.352101
C -3.008114 0.798227 -0.468859
C -1.913987 0.589662 -1.533454
C 0.416067 -0.864227 -0.527449
C 1.583203 -0.487389 -1.224924
C -4.195346 -0.134748 -0.750951
C 2.831413 -0.342728 -0.564599
C 0.505888 -1.105997 0.867294
C 2.909763 -0.594041 0.831157
C 1.746683 -0.967829 1.530961
C -2.665278 1.807869 1.753057
C -2.149917 1.599641 3.171502
C 5.276470 0.235446 -0.939653
C 6.238038 0.645092 -2.052216
H -3.402508 1.835908 -0.577350
H -1.102436 1.321424 -1.403207
H -2.345408 0.666256 -2.543742
H -2.050587 -0.136685 1.213507
H 1.505928 -0.327314 -2.307294
H 3.868528 -0.490560 1.341436
H 1.811033 -1.148516 2.611842
H 3.764207 0.189100 -2.345290
H -1.604735 2.501434 3.494335
H -3.010571 1.471100 3.852372
H -1.490933 0.719151 3.261555
H -5.632682 -1.110245 0.148253
H -0.454147 -1.824337 2.459824
H 7.046593 -0.103047 -2.120161
H 6.707102 1.606929 -1.782707
H 5.764102 0.746584 -3.043965


