%chk=000192636.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192636

0 1
S 0.265333 -0.494884 1.800978
O 4.053832 -0.803467 1.431069
O -3.822310 -2.214704 -0.463844
O -2.585253 -0.971588 -1.849919
O 1.765179 -1.040736 -1.333511
O 3.964762 -1.463452 -1.245799
N -1.351634 1.532247 -1.304758
N -1.094550 3.381756 -0.021259
C -0.722538 -0.335365 0.268296
C -2.025520 -1.086128 0.547708
C -0.933361 1.098933 -0.030878
C 1.902505 0.086120 1.303512
C 2.770710 -1.082615 0.862463
C -0.783534 2.258473 0.741450
C -2.776089 -1.366956 -0.719141
C -1.443440 2.931341 -1.250408
C 2.943316 -1.208086 -0.655608
H -0.163596 -0.832072 -0.575153
H -1.841444 -2.048321 1.086549
H -2.682135 -0.504018 1.241737
H 1.839245 0.887998 0.539732
H 2.372699 0.569505 2.197038
H 2.421458 -2.070378 1.263528
H -1.606586 0.916602 -2.067827
H -0.483388 2.350788 1.772139
H -1.746152 3.544216 -2.085744
H 4.777199 -1.280693 0.951105
H -4.360687 -2.424180 -1.277328
H 1.876476 -1.134735 -2.322825


%chk=000192636-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192636

0 1
S 0.209779 -0.706040 1.915619
O 4.280661 -0.626321 1.217979
O -4.084223 -1.990931 -0.566710
O -2.526109 -0.963320 -1.933566
O 1.787850 -1.951561 -1.094562
O 3.608118 -0.551099 -1.435441
N -1.231278 1.512221 -1.299516
N -0.941177 3.370461 -0.045258
C -0.766153 -0.408277 0.302284
C -2.120322 -1.130442 0.512852
C -0.885909 1.059677 -0.013415
C 1.914795 -0.023844 1.482503
C 2.922138 -1.040886 0.870761
C -0.707198 2.228998 0.739820
C -2.883681 -1.321643 -0.783184
C -1.260797 2.899851 -1.268479
C 2.827382 -1.140255 -0.652703
H -0.210207 -0.936361 -0.490538
H -1.954821 -2.134389 0.951490
H -2.759915 -0.577683 1.225387
H 1.790084 0.881750 0.864310
H 2.344473 0.273909 2.453293
H 2.756393 -2.034024 1.319208
H -1.514799 0.883000 -2.056566
H -0.423559 2.310351 1.786259
H -1.513236 3.510552 -2.132167
H 4.652868 -0.105904 0.454393
H -4.567598 -2.108727 -1.429739
H 1.786941 -1.983462 -2.091014


