%chk=000295834.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295834

0 1
S -1.204455 1.145802 -0.489276
N 3.164939 -0.740730 1.133658
N 1.179756 0.172377 0.281436
N 1.116195 2.367420 -0.771457
C -3.127873 -0.527196 0.116678
C -1.643622 -0.461439 0.251364
C -3.708877 -1.093327 -1.029898
C -3.952648 -0.024016 1.136154
C 2.555041 0.292240 0.423324
C 0.539043 1.222368 -0.296189
C 4.622329 -0.983153 1.029984
C -5.099271 -1.158012 -1.150332
C -5.342267 -0.091913 1.009186
C -5.918119 -0.659233 -0.132146
C 3.236520 1.439792 -0.057255
C 2.469130 2.451653 -0.641898
C 5.020286 -1.649836 -0.261137
C 6.050633 -2.485641 -0.355745
H -1.298779 -0.511849 1.304005
H -1.121196 -1.286758 -0.272476
H -3.076684 -1.477651 -1.828964
H -3.510144 0.424758 2.024386
H 2.597242 -1.576901 1.299015
H 5.174198 -0.016210 1.134817
H 4.916372 -1.597398 1.915291
H -5.545586 -1.596590 -2.041461
H -5.977997 0.300549 1.801368
H -7.000675 -0.710424 -0.228665
H 4.311083 1.537657 0.034186
H 2.931711 3.368934 -1.028245
H 4.409887 -1.383394 -1.127335
H 6.349819 -2.948571 -1.287112
H 6.677811 -2.775208 0.475640


%chk=000295834-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295834

0 1
S -1.220532 1.451459 -0.539776
N 3.136332 -0.747195 0.836738
N 1.194625 0.342947 0.162530
N 1.194051 2.600910 -0.765440
C -3.139998 -0.491911 0.092498
C -1.644855 -0.289337 0.143364
C -3.754423 -1.057958 -1.054784
C -3.957904 -0.118231 1.190531
C 2.566737 0.380856 0.285959
C 0.590047 1.444277 -0.350987
C 4.577822 -0.986352 1.004559
C -5.152821 -1.252217 -1.102076
C -5.356506 -0.311437 1.146398
C -5.958376 -0.879922 -0.000568
C 3.303771 1.532765 -0.130550
C 2.556085 2.609860 -0.642287
C 5.215041 -1.648674 -0.208429
C 5.945823 -2.789182 -0.157918
H -1.242014 -0.325637 1.166786
H -1.093749 -1.009504 -0.480074
H -3.132483 -1.343480 -1.911805
H -3.494108 0.327556 2.078752
H 2.485661 -1.517726 1.005985
H 5.070087 -0.018531 1.218417
H 4.729034 -1.618309 1.898489
H -5.612912 -1.692167 -1.994025
H -5.975072 -0.019862 2.002674
H -7.043230 -1.030614 -0.035766
H 4.391935 1.590967 -0.069556
H 3.056656 3.525419 -0.976762
H 5.043380 -1.145799 -1.171158
H 6.389883 -3.227502 -1.058263
H 6.125818 -3.317368 0.787444


