%chk=000154340.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154340

0 1
 O    1.808100     -0.3294000       2.042400    
 O  -1.4800000E-02  0.8087000     -0.8322000    
 O  -0.2024000       1.299000       1.412000    
 N   -5.644800      0.2965000      0.1163000    
 C    2.785500      0.4685000      2.8899999E-02
 C    4.041200     -0.3827000      0.2608000    
 C    2.968600       1.880100      0.6026000    
 C    1.557000     -0.2057000      0.6369000    
 C    5.292400      0.2963000     -0.2917000    
 C    4.221500       2.555200      4.9199998E-02
 C    5.466200       1.702300      0.2739000    
 C    1.227400      -1.606200      0.1284000    
 C   0.3511000      0.7245000      0.4821000    
 C   0.7025000      -2.525300       1.010600    
 C    1.465500      -1.903800      -1.195800    
 C   -1.141700       1.646500      -1.107100    
 C   0.4010000      -3.805400      0.5458000    
 C    1.163800      -3.184000      -1.660800    
 C   0.6316000      -4.134700     -0.7899000    
 C   -1.388700       1.598500      -2.613800    
 C  -0.8080000       3.070500     -0.6640000    
 C   -2.318400       1.138900     -0.3805000    
 C   -3.277700      0.7245000      0.2122000    
 C   -4.445000      0.2182000      0.9397000    
 C   -6.803200     -0.2158000      0.8349000    
 C   -8.038800     -0.1350000     -4.0899999E-02
 H    2.655800      0.5951000      -1.054100    
 H    3.956100      -1.368000     -0.2079000    
 H    4.206200     -0.5553000       1.330900    
 H    3.045900       1.847400       1.696600    
 H    2.116300       2.523800      0.3627000    
 H    6.175600     -0.3074000     -5.3700000E-02
 H    5.226400      0.3477000      -1.385500    
 H    4.093500       2.738700      -1.024800    
 H    4.354600       3.533000      0.5259000    
 H    5.676400       1.639900       1.348700    
 H    6.332600       2.183500     -0.1936000    
 H    2.376400      -1.099600       2.211000    
 H   0.4835000      -2.296600       2.048600    
 H    1.859500      -1.184700      -1.904300    
 H  -2.0000000E-02  -4.544000       1.221800    
 H    1.338700      -3.439200      -2.701900    
 H   0.3942000      -5.130600      -1.152500    
 H   -2.248300       2.210700      -2.907900    
 H  -0.5076000       1.948400      -3.164200    
 H   -1.574700      0.5704000      -2.947900    
 H   -1.535700       3.780800      -1.076300    
 H  -0.8280000       3.231200      0.4174000    
 H   0.1853000       3.368800      -1.018900    
 H   -4.255700     -0.8218000       1.230600    
 H   -4.575300      0.8010000       1.859400    
 H   -5.815300       1.266000     -0.1518000    
 H   -6.642200      -1.261900       1.120000    
 H   -6.975900      0.3615000       1.750700    
 H   -8.259300      0.8999000     -0.3239000    
 H   -7.914800     -0.7217000     -0.9576000    
 H   -8.908300     -0.5290000      0.4951000    


%chk=000154340-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154340

0 1
O 2.153139 -0.244755 2.320335
O 0.142228 1.132751 -0.354007
O -0.152499 1.111378 1.972112
N -5.663324 0.092358 -0.196057
C 2.859101 0.443648 0.035011
C 4.127705 -0.450772 0.027619
C 3.224495 1.878156 0.496054
C 1.715711 -0.169097 0.915351
C 5.235012 0.154835 -0.869235
C 4.336339 2.489677 -0.389070
C 5.595086 1.591808 -0.425058
C 1.217504 -1.554707 0.437376
C 0.472657 0.767367 0.954648
C 0.752375 -2.482439 1.404516
C 1.163337 -1.912526 -0.933570
C -1.108560 1.981674 -0.609473
C 0.269300 -3.750364 1.011728
C 0.681902 -3.180468 -1.325833
C 0.237135 -4.107814 -0.355043
C -1.146151 2.043998 -2.150772
C -0.902729 3.377878 0.020226
C -2.303478 1.293456 -0.087226
C -3.337909 0.733499 0.281303
C -4.550756 0.070018 0.787172
C -6.916605 -0.502370 0.318918
C -8.036541 -0.401353 -0.729612
H 2.476263 0.513862 -1.001797
H 3.880995 -1.474199 -0.312743
H 4.529597 -0.533552 1.060989
H 3.556047 1.843324 1.552366
H 2.328561 2.527812 0.464299
H 6.132898 -0.492797 -0.846798
H 4.880568 0.174887 -1.920997
H 3.952735 2.616936 -1.423333
H 4.597598 3.500023 -0.018749
H 6.047995 1.557509 0.587469
H 6.356462 2.023251 -1.103600
H 2.879593 -0.918856 2.360098
H 0.757485 -2.191517 2.460025
H 1.481785 -1.199289 -1.700490
H -0.087503 -4.454474 1.772113
H 0.649125 -3.442633 -2.389451
H -0.137632 -5.090913 -0.661457
H -2.016924 2.636234 -2.480227
H -0.223993 2.518831 -2.527914
H -1.229182 1.029429 -2.572654
H -1.742661 4.034957 -0.266633
H -0.863609 3.310396 1.117371
H 0.035665 3.821960 -0.357039
H -4.308617 -0.989365 1.008278
H -4.829410 0.536791 1.767139
H -5.814470 1.041611 -0.565486
H -6.718127 -1.568265 0.548812
H -7.255923 -0.028847 1.276419
H -8.268747 0.655359 -0.964946
H -7.731193 -0.901348 -1.665149
H -8.964053 -0.874756 -0.360726


