%chk=000210375.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210375

0 1
S 4.872967 1.889173 1.072731
S -6.249954 -1.054556 -1.437096
S -7.307772 -0.067390 0.024609
O -6.528826 1.414517 -0.105076
O -8.642340 0.163723 -0.415497
O -6.971566 -0.594149 1.301836
N -2.450289 -0.306690 -0.193986
C 0.951206 1.468499 -0.208660
C -0.137284 0.468964 0.200250
C 2.264817 1.192366 0.539184
C -1.454847 0.756619 -0.537563
C 3.350910 2.172021 0.118902
C -3.795309 -0.020059 -0.784559
C -4.622931 -1.297021 -0.654395
C 5.548999 0.372342 0.490368
C 5.231699 -0.186058 -0.747928
C 6.477602 -0.236470 1.343404
C 5.853129 -1.378203 -1.138492
C 7.096428 -1.422554 0.940295
C 6.784084 -1.995770 -0.298426
H 0.612160 2.502692 -0.004375
H 1.120647 1.414023 -1.301725
H 0.191617 -0.567664 -0.021043
H -0.293779 0.504411 1.295690
H 2.590404 0.147960 0.351680
H 2.093430 1.253804 1.634099
H -1.288432 0.721205 -1.637753
H -1.812246 1.781891 -0.299534
H 3.060000 3.220289 0.338067
H 3.553885 2.122290 -0.966723
H -2.534878 -0.385644 0.826673
H -3.667943 0.249825 -1.858263
H -4.312333 0.844802 -0.303971
H -4.734498 -1.621840 0.401278
H -4.132598 -2.143642 -1.185081
H 4.515145 0.289947 -1.414974
H 6.719492 0.201824 2.311995
H 5.610437 -1.822661 -2.102487
H 7.822397 -1.903648 1.594276
H 7.266573 -2.921290 -0.606118
H -7.086703 2.209922 -0.125712


%chk=000210375-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210375

0 1
S 5.106253 1.879333 1.228918
S -6.146754 -1.122418 -1.737019
S -7.576251 -0.367818 0.149502
O -7.791035 1.391744 -0.425207
O -9.051128 -1.023913 0.252283
O -6.634143 -0.351259 1.474281
N -2.466435 0.041305 -0.257359
C 1.085440 1.576807 -0.208571
C -0.087782 0.643698 0.167322
C 2.365278 1.266812 0.604759
C -1.369377 0.952214 -0.631385
C 3.528913 2.202462 0.235808
C -3.726358 0.147609 -1.003258
C -4.571553 -1.111042 -0.731582
C 5.704254 0.269794 0.569148
C 5.283878 -0.289270 -0.661407
C 6.676158 -0.406260 1.350929
C 5.831606 -1.515916 -1.102723
C 7.224378 -1.625810 0.898369
C 6.803492 -2.190002 -0.329355
H 0.787839 2.633103 -0.042893
H 1.300870 1.477123 -1.293045
H 0.195673 -0.412095 -0.007343
H -0.297515 0.742610 1.253285
H 2.663172 0.213623 0.439015
H 2.153673 1.367170 1.686839
H -1.174619 0.822516 -1.714905
H -1.647426 2.025399 -0.484871
H 3.291394 3.252491 0.483449
H 3.774118 2.162391 -0.840309
H -2.594181 -0.054612 0.758390
H -3.482851 0.210820 -2.081146
H -4.329399 1.051555 -0.753713
H -4.873921 -1.153821 0.336532
H -4.019902 -2.039663 -0.967767
H 4.544655 0.219974 -1.288042
H 6.998351 0.018618 2.308352
H 5.498438 -1.939610 -2.057022
H 7.975800 -2.136849 1.510639
H 7.226067 -3.139135 -0.675777
H -8.615572 1.748122 0.022782


