%chk=000236957.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236957

0 1
S 1.966740 1.633505 0.603450
S 4.749150 0.910861 0.040241
N 1.628848 -1.375596 0.885260
N 2.888935 -0.937986 0.531332
C 0.451910 -0.622318 0.545529
C 0.478576 0.716948 0.385770
C -0.777928 -1.444886 0.435616
C -0.656696 1.585711 0.069772
C -1.487839 -1.484950 -0.773884
C -1.227299 -2.180696 1.542847
C -1.762857 1.640364 0.935526
C -0.639718 2.374545 -1.093080
C -2.641832 -2.266375 -0.873583
C -2.383083 -2.958210 1.434803
C 3.149414 0.319902 0.412564
C -2.840461 2.476856 0.636618
C -1.722811 3.207562 -1.383576
C -3.089154 -3.003489 0.228012
C -2.823019 3.260867 -0.521634
C 5.790109 -0.558950 0.048030
H 1.555252 -2.392113 0.708773
H -1.144040 -0.899405 -1.627035
H -0.679171 -2.137287 2.484682
H -1.774661 1.029218 1.837151
H 0.217002 2.338970 -1.765753
H -3.195530 -2.297375 -1.811176
H -2.735240 -3.527955 2.293725
H -3.695798 2.518623 1.309039
H -1.707830 3.819118 -2.284359
H -3.989669 -3.610637 0.146902
H -3.663486 3.912726 -0.750813
H 5.493137 -1.276331 -0.727796
H 5.755610 -1.079922 1.014376
H 6.822837 -0.239396 -0.142427


%chk=000236957-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236957

0 1
S 2.019256 1.758818 0.987182
S 4.689469 0.877894 -0.258372
N 1.583973 -1.176125 1.324547
N 2.860005 -0.889903 0.750861
C 0.402063 -0.496383 0.871589
C 0.429358 0.850747 0.607257
C -0.761487 -1.409839 0.650164
C -0.676840 1.707606 0.123900
C -1.420384 -1.479055 -0.605946
C -1.180423 -2.276395 1.696976
C -1.997530 1.554647 0.638493
C -0.440811 2.737095 -0.831706
C -2.480542 -2.388301 -0.805957
C -2.240397 -3.188111 1.492238
C 3.142765 0.361391 0.522360
C -3.046887 2.381930 0.187612
C -1.492751 3.562949 -1.279654
C -2.894307 -3.247012 0.240153
C -2.803382 3.388981 -0.775766
C 5.566188 -0.785619 -0.397613
H 1.478690 -2.190284 1.405877
H -1.097889 -0.820119 -1.418269
H -0.696696 -2.214526 2.679348
H -2.193301 0.794563 1.401086
H 0.573480 2.881295 -1.219696
H -2.980481 -2.430549 -1.779933
H -2.558636 -3.843467 2.310542
H -4.053627 2.248796 0.599711
H -1.289098 4.344139 -2.020742
H -3.717226 -3.952459 0.080751
H -3.618793 4.035306 -1.119034
H 4.976757 -1.457249 -1.037245
H 5.683342 -1.223923 0.603558
H 6.545541 -0.564940 -0.849370


