%chk=000202752.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202752

0 1
O -0.281121 -3.857797 -0.503493
O -0.218199 0.474430 2.051136
N 1.439681 -2.848696 0.605299
N 3.713992 -1.469210 -0.540408
N -1.578282 -1.191721 0.064725
C 2.451661 -3.584267 -0.207618
C 2.009075 -1.638059 1.252999
C 3.110750 -2.650758 -1.242966
C 2.657868 -0.708910 0.207485
C 0.094614 -2.986235 0.266891
C -0.930039 -2.109864 1.005345
C 4.399072 -0.576623 -1.521562
C -1.505569 0.218068 0.093225
C -2.358767 -1.589156 -1.003488
C -2.295583 0.684450 -0.982751
C -2.817989 -0.431753 -1.662274
C -0.770551 0.991021 1.088228
C -0.711047 2.475070 0.892862
C -0.254478 3.022382 -0.313774
C -1.080611 3.313399 1.953513
C -0.179721 4.409900 -0.460946
C -1.012870 4.700841 1.797338
C -0.562918 5.248578 0.591673
H 1.966664 -4.447945 -0.719386
H 3.217136 -3.990186 0.491901
H 2.775871 -1.977652 1.988741
H 1.227428 -1.083666 1.829340
H 2.371161 -2.367345 -2.022639
H 3.929985 -3.199061 -1.757002
H 3.149810 0.139414 0.732783
H 1.878164 -0.273005 -0.452785
H -0.471026 -1.531733 1.859222
H -1.690322 -2.786546 1.469086
H 5.207544 -1.141120 -2.014422
H 4.877139 0.253977 -0.976831
H 3.748715 -0.152152 -2.300274
H -2.529820 -2.628607 -1.247530
H -2.471178 1.716402 -1.224792
H -3.454339 -0.415127 -2.524879
H 0.044946 2.368169 -1.132957
H -1.414225 2.879748 2.897603
H 0.176799 4.838487 -1.396268
H -1.306093 5.354185 2.617898
H -0.507929 6.330172 0.472554


%chk=000202752-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202752

0 1
O -0.365104 -3.628339 -0.968305
O -0.389338 0.384941 2.054752
N 1.362552 -2.639213 0.243354
N 3.875829 -1.320691 -0.263482
N -1.912636 -1.325322 0.167442
C 2.384416 -3.270353 -0.627978
C 1.951420 -1.737265 1.260920
C 3.255596 -2.188893 -1.293069
C 2.840907 -0.677263 0.578799
C 0.025416 -2.882944 -0.008899
C -1.051194 -2.265231 0.915319
C 4.820767 -0.345109 -0.839949
C -1.821221 0.090474 0.134713
C -2.882925 -1.737254 -0.727134
C -2.805126 0.537051 -0.792145
C -3.466491 -0.602016 -1.324882
C -0.956926 0.880323 1.009711
C -0.728626 2.334314 0.689581
C -0.632519 2.826172 -0.640329
C -0.510087 3.225692 1.774091
C -0.343929 4.188618 -0.876064
C -0.236978 4.587806 1.537212
C -0.154747 5.074371 0.209737
H 1.858159 -3.878780 -1.380306
H 3.025860 -3.923569 -0.005114
H 2.578791 -2.342337 1.944757
H 1.174326 -1.220356 1.841723
H 2.623163 -1.601871 -2.007732
H 4.058167 -2.678975 -1.875112
H 3.338249 -0.075483 1.361485
H 2.188283 0.014385 -0.015087
H -0.667574 -1.738754 1.796493
H -1.681072 -3.110159 1.243621
H 5.606692 -0.878358 -1.404310
H 5.308951 0.223371 -0.028303
H 4.334564 0.388752 -1.531216
H -3.061337 -2.797124 -0.895389
H -3.037225 1.580171 -0.996851
H -4.277716 -0.612696 -2.049945
H -0.749887 2.139027 -1.484333
H -0.554728 2.826374 2.792619
H -0.258839 4.556307 -1.904697
H -0.084582 5.269745 2.380983
H 0.064098 6.131961 0.024121


