%chk=000183515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183515

0 1
O -0.034349 -3.059453 -0.110979
O 2.249778 -3.690855 -0.171707
O -5.115931 0.680119 -0.053280
N 2.190332 2.678812 0.724603
N 0.469604 2.248094 -0.989747
C 1.041860 1.815862 0.320100
C 1.435874 0.349634 0.185390
C 2.781912 -0.034825 0.147509
C 3.882497 0.981658 0.260444
C 3.407113 2.397429 -0.099350
C 0.375005 -0.602677 0.077321
C 0.775707 -1.925897 -0.022637
C 3.165769 -1.397241 0.030175
C -1.054264 -0.248486 0.067064
C 2.144417 -2.311945 -0.050576
C 1.835930 4.128626 0.699721
C -1.557699 0.859024 -0.650931
C -0.662738 1.790351 -1.391660
C -1.958780 -1.074917 0.762200
C 0.876246 -4.197588 -0.236991
C -2.927810 1.127938 -0.670453
C -3.327523 -0.815231 0.769376
C -3.800558 0.289190 0.046235
C -6.111928 -0.110360 0.640428
H 0.280537 1.916894 1.150923
H 4.257960 0.974159 1.309493
H 4.743911 0.706515 -0.379435
H 4.194609 3.137519 0.153089
H 3.217615 2.478868 -1.192488
H 4.209332 -1.695111 0.005789
H 1.642898 4.534099 -0.306534
H 2.658549 4.698231 1.159986
H 0.936341 4.295796 1.312587
H -1.042594 2.124715 -2.372476
H -1.576142 -1.945995 1.303909
H 0.729294 -4.643552 -1.229600
H 0.718325 -4.852645 0.629366
H -3.335704 1.973882 -1.221273
H -3.999863 -1.464707 1.320095
H -6.128227 -1.131094 0.247947
H -7.037026 0.423728 0.385258
H -5.931677 -0.087965 1.718907


%chk=000183515-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183515

0 1
O -0.031309 -3.115034 0.110789
O 2.267392 -3.758662 0.019174
O -5.196006 0.680936 -0.122448
N 2.213636 2.673460 0.665652
N 0.535044 2.248247 -1.074009
C 1.092541 1.820767 0.270138
C 1.479629 0.351877 0.180228
C 2.841844 -0.037036 0.122279
C 3.945002 1.011739 0.163934
C 3.416583 2.419521 -0.159704
C 0.402375 -0.604530 0.149906
C 0.801520 -1.953716 0.106291
C 3.193524 -1.414719 0.055673
C -1.033852 -0.215765 0.144005
C 2.153913 -2.340889 0.052495
C 1.851381 4.100563 0.783950
C -1.535200 0.902711 -0.614252
C -0.661976 1.827188 -1.385890
C -1.985502 -1.030508 0.815324
C 0.885495 -4.233185 -0.228005
C -2.929505 1.135475 -0.690706
C -3.367806 -0.768608 0.776183
C -3.846798 0.324621 0.009804
C -6.185272 -0.132988 0.589641
H 0.291004 1.933663 1.032641
H 4.386187 1.027393 1.180223
H 4.753524 0.736491 -0.540755
H 4.180936 3.175322 0.095125
H 3.188314 2.515207 -1.247127
H 4.238922 -1.732900 0.012175
H 1.605483 4.575885 -0.191546
H 2.691302 4.650220 1.245848
H 0.972199 4.201484 1.446749
H -1.094050 2.221142 -2.321954
H -1.630597 -1.895797 1.381876
H 0.772230 -4.479304 -1.302237
H 0.671377 -5.084152 0.435331
H -3.316882 1.967766 -1.288354
H -4.052944 -1.420388 1.325959
H -6.168651 -1.183760 0.240810
H -7.156936 0.322054 0.348607
H -6.019469 -0.101190 1.683974


