%chk=000052020.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052020

1 1
 O   0.3330000      -1.860600     -7.8199998E-02
 O  -0.9953000      -1.086500      -1.793400    
 N    3.813600      0.5794000     -7.7500001E-02
 C    2.905800     -0.5719000      0.1427000    
 C    4.452400       1.032500       1.243200    
 C    3.049700       1.772000     -0.6705000    
 C    4.942900      0.2071000      -1.049100    
 C    2.272000     -0.9663000      -1.180300    
 C    5.280600     -9.9699996E-02   1.810300    
 C    1.928400       2.161600      0.2678000    
 C    1.362500      -2.176100      -1.021000    
 C   -1.804400      -1.045800      0.5146000    
 C  -0.8049000      -1.315400     -0.6060000    
 C   -2.626900      -2.322000      0.7852000    
 C   -2.649900      0.1846000      0.2228000    
 C   -3.559900      -2.186900       1.982100    
 C   -2.221900       1.442000      0.6492000    
 C   -3.853000      5.5799998E-02 -0.4715000    
 C   -2.996900       2.570300      0.3815000    
 C   -4.627900       1.184400     -0.7392000    
 C   -4.199800       2.441600     -0.3127000    
 H    2.180400     -0.3393000      0.9277000    
 H    3.496400      -1.424900      0.4930000    
 H    5.064400       1.919400       1.045900    
 H    3.665500       1.274500       1.961100    
 H    3.766400       2.597200     -0.7650000    
 H    2.700300       1.536700      -1.679100    
 H    5.303800     -0.8009000     -0.8268000    
 H    4.562800      0.2472000      -2.074300    
 H    5.746500      0.9437000     -0.9493000    
 H    3.018100      -1.228600      -1.936000    
 H    1.649400     -0.1645000      -1.585100    
 H    4.684900     -0.9650000       2.112000    
 H    6.089900     -0.4295000       1.154600    
 H    5.766600      0.2557000       2.727300    
 H    2.262400       2.519900       1.243200    
 H    1.173000       1.384900      0.4031000    
 H    1.394200       3.009200     -0.1800000    
 H   0.9468000      -2.494800      -1.984100    
 H    1.923100      -3.027500     -0.6199000    
 H   -1.223900     -0.8252000       1.422400    
 H   -1.931100      -3.146100      0.9932000    
 H   -3.190300      -2.642400     -9.8499998E-02
 H   -3.006600      -1.882900       2.876500    
 H   -4.359700      -1.462200       1.809500    
 H   -4.033000      -3.151500       2.194200    
 H   -1.287100       1.556700       1.191000    
 H   -4.208700     -0.9007000     -0.8394000    
 H   -2.663400       3.549300      0.7131000    
 H   -5.562000       1.085400      -1.284300    
 H   -4.802500       3.320400     -0.5224000    


%chk=000052020-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052020

1 1
O 0.442563 -2.307610 0.437957
O -0.803596 -2.138261 -1.526241
N 3.446712 0.763191 -0.339221
C 2.773015 -0.546985 0.131757
C 3.834599 1.612186 0.905009
C 2.493721 1.610237 -1.236461
C 4.692378 0.454493 -1.164028
C 2.326342 -1.500826 -0.988452
C 4.961813 1.041450 1.773630
C 1.197190 2.077591 -0.570114
C 1.610329 -2.726940 -0.382485
C -1.876901 -1.652220 0.665514
C -0.751345 -2.050508 -0.280445
C -3.182422 -2.420644 0.288396
C -2.050654 -0.124893 0.625881
C -4.327251 -2.157419 1.285941
C -1.878363 0.642851 1.805369
C -2.418796 0.535261 -0.576443
C -2.084019 2.042663 1.791454
C -2.624577 1.932933 -0.590929
C -2.459729 2.691998 0.592599
H 1.907666 -0.255810 0.748783
H 3.507100 -1.047052 0.786119
H 4.114529 2.605174 0.510564
H 2.911042 1.722348 1.495396
H 3.101284 2.471287 -1.568394
H 2.277203 0.989234 -2.120919
H 5.322255 -0.271564 -0.630616
H 4.390544 0.037585 -2.135723
H 5.253875 1.387879 -1.325457
H 3.189829 -1.877436 -1.567973
H 1.625823 -1.019041 -1.692266
H 4.719842 0.059513 2.213032
H 5.925123 0.972530 1.242773
H 5.111404 1.737373 2.618032
H 1.364591 2.773388 0.267895
H 0.553669 1.250594 -0.227591
H 0.613197 2.628245 -1.328281
H 1.267195 -3.392758 -1.192313
H 2.250634 -3.282776 0.321857
H -1.570148 -1.944671 1.685651
H -2.957218 -3.504347 0.256121
H -3.486035 -2.132805 -0.734744
H -4.053001 -2.478226 2.308368
H -4.593407 -1.086329 1.324625
H -5.230412 -2.719761 0.990676
H -1.612048 0.140719 2.743491
H -2.552041 -0.046085 -1.496256
H -1.974184 2.618982 2.716854
H -2.931218 2.427294 -1.519524
H -2.641401 3.772266 0.584732


