%chk=000272925.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272925

0 1
S -2.734299 -0.585558 -0.255424
S 2.742234 -0.582798 -0.225679
N -1.216903 1.547328 -0.710916
N 1.227730 1.548554 -0.697637
N 0.003146 -1.909014 0.012454
N 0.006045 3.572855 -1.008996
C -3.964481 0.761430 -0.247843
C 3.970878 0.765437 -0.204625
C -5.265106 0.064947 -0.029592
C 5.269771 0.070253 0.027648
C 0.003737 -0.507590 -0.204716
C -1.190978 0.231466 -0.404436
C 1.199781 0.232619 -0.391429
C -5.780273 -0.079466 1.268942
C -5.982488 -0.449102 -1.122262
C 5.998399 -0.444889 -1.057042
C 5.772059 -0.071834 1.331470
C -7.001841 -0.727417 1.468656
C -7.202947 -1.096665 -0.915230
C 7.217197 -1.091239 -0.836868
C 6.992052 -0.718569 1.544333
C 0.005788 2.185347 -0.824862
C -7.715292 -1.236234 0.378669
C 7.716710 -1.228487 0.462287
H -3.923057 1.319972 -1.205567
H -3.724260 1.502317 0.540896
H 3.721320 1.506024 0.581486
H 3.939322 1.324039 -1.162700
H -5.227206 0.310376 2.122083
H -5.586141 -0.347853 -2.131851
H 5.612079 -0.345423 -2.070690
H 5.210222 0.318861 2.178466
H -7.398126 -0.836948 2.476972
H -7.755537 -1.494749 -1.765000
H 7.778529 -1.490185 -1.680482
H 7.378339 -0.826288 2.556716
H -8.666419 -1.740618 0.536987
H 8.666578 -1.731925 0.630842
H -0.828553 -2.255604 0.483169
H 0.830378 -2.255058 0.491362
H 0.860271 3.983249 -1.363204
H -0.844758 3.982337 -1.372388


%chk=000272925-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272925

0 1
S -2.794283 -0.895349 -0.090260
S 2.800136 -0.890026 -0.044346
N -1.207054 1.315877 -0.534945
N 1.216240 1.318131 -0.515196
N 0.001849 -2.132341 0.203756
N 0.005989 3.294672 -0.926060
C -4.012126 0.575271 -0.264799
C 4.017893 0.582549 -0.202074
C -5.423367 0.075860 -0.078433
C 5.428261 0.082956 -0.009733
C 0.002944 -0.768549 -0.086231
C -1.195635 -0.011458 -0.258914
C 1.202766 -0.009206 -0.239282
C -6.012283 0.039474 1.212501
C -6.188362 -0.360280 -1.191477
C 6.196956 -0.355665 -1.119298
C 6.012623 0.048797 1.283288
C -7.337611 -0.416543 1.386673
C -7.513958 -0.817376 -1.020092
C 7.521670 -0.813042 -0.942395
C 7.337162 -0.407505 1.462984
C 0.005040 1.938575 -0.650851
C -8.092693 -0.846355 0.270236
C 8.095899 -0.839814 0.350043
H -3.829910 1.001796 -1.262129
H -3.705833 1.309163 0.495489
H 3.706666 1.311981 0.560502
H 3.841278 1.014530 -1.198067
H -5.427717 0.369527 2.079641
H -5.740792 -0.340142 -2.192459
H 5.752782 -0.337320 -2.121818
H 5.425249 0.380882 2.147757
H -7.781120 -0.435686 2.388503
H -8.093988 -1.147974 -1.888961
H 8.104606 -1.145569 -1.808579
H 7.777145 -0.424915 2.466397
H -9.121467 -1.199023 0.404467
H 9.124033 -1.192698 0.488540
H -0.872638 -2.629151 0.350096
H 0.874789 -2.627689 0.363629
H 0.892074 3.779642 -1.024780
H -0.879315 3.777887 -1.039322


