%chk=000215420.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215420

0 1
O 5.896010 0.547160 -0.526322
N 0.294765 1.490205 0.006098
N 3.745137 0.066812 0.044326
N -5.586810 1.230678 0.743084
C 3.214032 1.365116 -0.452979
C 2.582248 2.169894 0.699422
C 2.180807 1.134702 -1.572787
C 1.238448 1.593054 1.167512
C 0.847487 0.581412 -1.050578
C -1.057157 1.027536 0.462823
C -2.110053 1.443801 -0.584908
C -3.475606 1.090971 -0.122634
C 5.106254 -0.245174 -0.039093
C -4.068136 -0.226946 -0.163423
C 5.479005 -1.607862 0.513186
C -4.413065 1.951561 0.428878
C -5.391199 -0.111113 0.384493
C 6.989010 -1.851458 0.379614
C -3.620676 -1.485391 -0.606519
C -6.254149 -1.221579 0.494622
C -4.470153 -2.572771 -0.496930
C -5.774526 -2.439935 0.049395
C 7.391156 -3.216484 0.926322
H 4.084810 1.947395 -0.871603
H 3.281621 2.231914 1.553972
H 2.427526 3.212182 0.350111
H 1.997610 2.104617 -2.080627
H 2.592768 0.456690 -2.343303
H 1.396283 0.623196 1.685203
H 0.785750 2.285237 1.912111
H 0.112748 0.547207 -1.886329
H 0.976604 -0.463993 -0.697732
H -1.301260 1.519279 1.430054
H -1.112735 -0.066699 0.644467
H 3.072750 -0.573758 0.445271
H -2.021188 2.533801 -0.781245
H -1.898558 0.956538 -1.559784
H 4.921745 -2.403196 -0.021285
H 5.178895 -1.685713 1.577368
H -4.336902 3.007135 0.617776
H -6.416577 1.618279 1.143569
H 7.286432 -1.757436 -0.685447
H 7.542071 -1.045274 0.904721
H -2.623302 -1.585585 -1.027688
H -7.249636 -1.115771 0.910702
H -4.146455 -3.555013 -0.833673
H -6.403910 -3.326852 0.113059
H 8.471782 -3.375171 0.823883
H 6.891605 -4.033124 0.393167
H 7.147894 -3.318175 1.989881


%chk=000215420-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215420

0 1
O 5.767699 0.864100 0.644971
N 0.363045 1.529804 -0.105294
N 3.766388 0.085623 -0.237894
N -5.575057 1.166586 0.767795
C 3.284096 1.430211 -0.631437
C 2.675057 2.196741 0.571910
C 2.228860 1.312805 -1.753076
C 1.337998 1.578046 1.018982
C 0.892793 0.734164 -1.237537
C -0.978719 1.078374 0.339772
C -2.110330 1.465733 -0.650763
C -3.476207 1.067702 -0.146675
C 4.984607 -0.105308 0.391391
C -4.029030 -0.277830 -0.092400
C 5.322318 -1.553161 0.767727
C -4.449126 1.914344 0.384673
C -5.346029 -0.184800 0.485447
C 6.778153 -1.923923 0.394880
C -3.543004 -1.553797 -0.486187
C -6.170033 -1.315718 0.679803
C -4.360163 -2.685152 -0.298322
C -5.659295 -2.567665 0.280892
C 7.188009 -3.309924 0.933618
H 4.170728 1.984588 -0.989633
H 3.398489 2.200763 1.406482
H 2.501332 3.245780 0.265323
H 2.035977 2.325403 -2.151581
H 2.615555 0.690135 -2.582684
H 1.524536 0.554587 1.440608
H 0.898634 2.187179 1.830167
H 0.157697 0.741419 -2.061335
H 1.023774 -0.346573 -0.941939
H -1.193561 1.564031 1.309909
H -1.005136 -0.026553 0.522844
H 3.164004 -0.721240 -0.410107
H -2.056737 2.557876 -0.812573
H -1.926571 0.989014 -1.633901
H 4.611203 -2.265795 0.303769
H 5.204407 -1.648842 1.866335
H -4.423136 2.995231 0.513546
H -6.426383 1.549140 1.172222
H 6.892529 -1.897824 -0.706662
H 7.443067 -1.138580 0.798150
H -2.547561 -1.657097 -0.933701
H -7.169609 -1.231323 1.121299
H -3.998471 -3.674785 -0.599256
H -6.270937 -3.466748 0.416265
H 8.229094 -3.553244 0.653311
H 6.535890 -4.109632 0.533394
H 7.120352 -3.341965 2.037672


