%chk=000206855.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206855

1 1
O -0.118891 1.591409 -0.044855
O 0.451569 1.583526 -2.228599
O 5.606740 -0.936186 0.572066
N -2.544026 -1.944857 -0.020424
C -2.966859 0.497855 -0.650039
C -3.546702 0.794045 0.753481
C -1.951740 -0.662287 -0.601228
C -4.142456 -0.497812 1.342075
C -3.145086 -1.657352 1.364560
C -2.289774 1.739001 -1.246602
C -2.501922 1.417502 1.696067
C -1.299924 2.430354 -0.306187
C -1.870944 2.675427 1.092037
C -1.428541 -2.993663 0.162846
C -3.613684 -2.498500 -0.935461
C -0.741369 -3.383836 -1.131847
C 0.771401 1.344867 -1.085076
C 2.004420 0.738836 -0.577691
C 2.919842 0.205174 -1.517000
C 2.319052 0.730482 0.791690
C 4.109009 -0.355068 -1.091059
C 3.513641 0.175856 1.241894
C 4.405698 -0.360799 0.295741
C 6.078164 -0.944659 1.946793
H -3.811553 0.213765 -1.328205
H -4.379579 1.534785 0.628698
H -1.551948 -0.863024 -1.621050
H -1.073712 -0.344809 0.023429
H -5.062657 -0.775776 0.789114
H -4.490347 -0.310605 2.383295
H -2.311263 -1.412835 2.066340
H -3.634924 -2.579714 1.750914
H -1.772648 1.490029 -2.202844
H -3.069082 2.477021 -1.536275
H -1.699240 0.690658 1.927606
H -2.974250 1.671647 2.666037
H -0.914709 3.368662 -0.769545
H -2.612888 3.498553 1.039755
H -1.062608 3.042288 1.760689
H -0.676064 -2.581518 0.878612
H -1.869574 -3.897989 0.645969
H -3.222837 -2.673757 -1.955668
H -4.013400 -3.458443 -0.563256
H -4.465120 -1.797703 -1.032138
H 0.053588 -4.125742 -0.929710
H -1.411585 -3.858476 -1.861369
H -0.238747 -2.543819 -1.633314
H 2.676214 0.249060 -2.584294
H 1.616413 1.171643 1.505279
H 4.834661 -0.770679 -1.791297
H 3.753804 0.182108 2.301002
H 5.412323 -1.543311 2.573192
H 6.190955 0.078976 2.316362
H 7.059759 -1.430107 1.836893


%chk=000206855-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206855

1 1
O -0.163048 1.721853 -0.044369
O 0.672149 2.211851 -2.171705
O 5.629248 -1.044117 0.399550
N -2.483995 -1.966105 0.077019
C -2.971455 0.461987 -0.675875
C -3.619928 0.800467 0.698560
C -1.926477 -0.667515 -0.554213
C -4.184102 -0.493167 1.340517
C -3.144317 -1.620916 1.435787
C -2.318221 1.712607 -1.328923
C -2.646814 1.566132 1.634870
C -1.396946 2.513129 -0.384032
C -2.074056 2.831908 0.955315
C -1.312688 -2.943229 0.371770
C -3.494891 -2.636489 -0.842121
C -0.529778 -3.426045 -0.853188
C 0.844705 1.687400 -1.043022
C 2.054521 0.962347 -0.598034
C 3.073613 0.704917 -1.561920
C 2.249723 0.539399 0.743209
C 4.244439 0.030833 -1.198207
C 3.427332 -0.133709 1.123560
C 4.429588 -0.392682 0.147837
C 5.929939 -1.462980 1.777416
H -3.772022 0.125160 -1.366618
H -4.477184 1.474637 0.498063
H -1.534938 -0.936390 -1.549373
H -1.081913 -0.349238 0.077994
H -5.080326 -0.836452 0.789354
H -4.524458 -0.287497 2.373314
H -2.316456 -1.333623 2.106393
H -3.591700 -2.556429 1.814846
H -1.762370 1.445413 -2.245729
H -3.129878 2.395990 -1.646704
H -1.802142 0.923191 1.952736
H -3.186061 1.853299 2.557142
H -1.063926 3.430685 -0.901327
H -2.891081 3.554358 0.759720
H -1.351926 3.334088 1.622605
H -0.644727 -2.403806 1.065864
H -1.762853 -3.794076 0.914230
H -3.047720 -2.771109 -1.837058
H -3.770095 -3.615113 -0.418456
H -4.390422 -2.007923 -0.928789
H 0.258102 -4.112391 -0.495978
H -1.147538 -3.994951 -1.567518
H -0.019759 -2.606039 -1.384009
H 2.926405 1.053877 -2.589017
H 1.488150 0.771102 1.494110
H 5.038778 -0.170907 -1.922264
H 3.568945 -0.430753 2.166601
H 5.191936 -2.204097 2.138540
H 5.960744 -0.592410 2.458629
H 6.924492 -1.926268 1.720300


