%chk=000232719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232719

0 1
S 3.517142 1.627419 1.108598
S -3.516978 -1.611429 1.131903
N 1.263085 0.712569 -0.039619
N -1.263343 -0.712255 -0.029238
C 0.405041 0.663450 1.190053
C 0.399214 0.651210 -1.266928
C -0.403963 -0.647588 1.198780
C -0.400855 -0.666378 -1.258183
C 2.134689 1.908229 -0.059085
C -2.135044 -1.907973 -0.032559
C 4.582232 0.473488 0.309691
C -4.581981 -0.467802 0.318195
C 4.103924 -0.738562 -0.189769
C -4.103561 0.737940 -0.196230
C 5.941460 0.796457 0.261251
C -5.941155 -0.791452 0.273288
C 5.007770 -1.644190 -0.755733
C -5.007247 1.636338 -0.773834
C 6.838056 -0.120733 -0.296505
C -6.837609 0.118617 -0.296258
C 6.371797 -1.337684 -0.806596
C -6.371239 1.329112 -0.821369
H -0.285643 1.531293 1.266903
H 1.067663 0.684963 2.084516
H 1.056327 0.671963 -2.162605
H -0.300087 1.512197 -1.343832
H 0.286819 -1.514388 1.285847
H -1.065633 -0.657790 2.094148
H -1.058976 -0.698403 -2.152789
H 0.298365 -1.528271 -1.325018
H 1.656616 2.853222 0.279171
H 2.541870 2.077959 -1.077825
H -1.656976 -2.848443 0.318079
H -2.542694 -2.091245 -1.048748
H 3.037043 -0.976980 -0.141067
H -3.036705 0.976978 -0.150139
H 6.304702 1.747789 0.650511
H -6.304481 -1.737855 0.674307
H 4.647831 -2.591737 -1.151701
H -4.647237 2.578879 -1.181510
H 7.899851 0.115145 -0.335973
H -7.899371 -0.117823 -0.333168
H 7.072530 -2.047251 -1.242784
H -7.071849 2.033115 -1.266679


%chk=000232719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232719

0 1
S 3.624386 1.679044 1.251683
S -3.624673 -1.668577 1.266369
N 1.213779 0.766921 0.057189
N -1.214355 -0.766326 0.063662
C 0.393685 0.665277 1.286754
C 0.390325 0.656645 -1.171962
C -0.396434 -0.650860 1.293536
C -0.388016 -0.671075 -1.164821
C 2.149411 1.886602 0.052378
C -2.149688 -1.886444 0.069332
C 4.695083 0.497320 0.326200
C -4.695046 -0.493868 0.331487
C 4.161480 -0.623076 -0.356546
C -4.161216 0.621839 -0.358722
C 6.094200 0.717459 0.353711
C -6.094123 -0.714115 0.359754
C 5.034818 -1.508374 -1.029275
C -5.034381 1.502441 -1.037809
C 6.959771 -0.187925 -0.301753
C -6.959521 0.186690 -0.302227
C 6.433816 -1.299640 -1.000899
C -6.433375 1.293753 -1.008572
H -0.320267 1.521856 1.367849
H 1.073424 0.696446 2.157652
H 1.058230 0.686903 -2.053316
H -0.340559 1.498450 -1.258591
H 0.317412 -1.506413 1.385627
H -1.077738 -0.672257 2.163495
H -1.053762 -0.712018 -2.047361
H 0.342910 -1.514029 -1.239205
H 1.707031 2.850282 0.392784
H 2.570330 2.016146 -0.958047
H -1.706901 -2.846803 0.418623
H -2.570330 -2.025433 -0.939964
H 3.078701 -0.788065 -0.344129
H -3.078395 0.786678 -0.347368
H 6.498775 1.592404 0.874029
H -6.498792 -1.585566 0.885827
H 4.620438 -2.372539 -1.561639
H -4.619879 2.362983 -1.575916
H 8.041660 -0.015574 -0.274698
H -8.041398 0.014373 -0.274540
H 7.106536 -1.995611 -1.514225
H -7.105952 1.986180 -1.526858


