%chk=000117212.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117212

0 1
 O  -0.7085000      0.6821000      4.4799998E-02
 O    2.766600      0.3847000     -0.2795000    
 O   -1.762100       1.951500      -1.553100    
 O    4.058500      0.8191000       1.575800    
 N   -2.106800       2.319000      0.7115000    
 N    4.468700       1.857800     -0.4341000    
 C   0.8632000      -1.163000     -0.3940000    
 C   8.3200000E-02  -2.153500      0.5198000    
 C  -5.9700001E-02 -6.5200001E-02 -0.9758000    
 C    1.982400     -0.5307000      0.4749000    
 C   -1.090300      -2.889700     -0.1386000    
 C    1.515800      -1.912000      -1.574100    
 C   -1.813000      -3.784200      0.8719000    
 C   -2.956700      -4.547400      0.2226000    
 C   -1.549100       1.680200     -0.3759000    
 C    3.786000       1.001600      0.3940000    
 C   -3.037900       3.418600      0.6050000    
 C   -4.440300       2.931000      0.3048000    
 H   0.7838000      -2.902700      0.9132000    
 H  -0.2971000      -1.607800       1.393900    
 H  -0.8169000     -0.5112000      -1.631800    
 H   0.5312000      0.6256000      -1.591400    
 H    2.638700      -1.319600      0.8647000    
 H    1.541300     -1.5000000E-03   1.329200    
 H  -0.7298000      -3.505700     -0.9694000    
 H   -1.810100      -2.173200     -0.5476000    
 H   0.7648000      -2.349600      -2.240000    
 H    2.160700      -2.722700      -1.217200    
 H    2.131200      -1.242500      -2.185500    
 H   -2.207000      -3.175100       1.693700    
 H   -1.106600      -4.500300       1.307600    
 H   -3.459000      -5.178700      0.9622000    
 H   -2.590800      -5.192700     -0.5824000    
 H   -3.698100      -3.860300     -0.1974000    
 H   -1.852200       1.993100       1.638900    
 H   -2.696800       4.092700     -0.1877000    
 H   -3.017100       3.961200       1.555100    
 H    4.204700       1.974700      -1.406600    
 H    5.257900       2.400000     -9.9100001E-02
 H   -5.134400       3.775200      0.2508000    
 H   -4.792000       2.247000       1.084500    
 H   -4.480100       2.395300     -0.6493000    


%chk=000117212-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117212

0 1
O -0.682535 0.626053 -0.041498
O 2.787336 0.367309 -0.276229
O -1.676208 1.929501 -1.740663
O 3.865855 1.082959 1.695708
N -2.076765 2.321700 0.547204
N 4.415613 1.947033 -0.418599
C 0.905119 -1.210084 -0.390413
C 0.039594 -2.145664 0.513536
C 0.045712 -0.134809 -1.088970
C 1.934993 -0.533624 0.542774
C -1.089981 -2.926048 -0.195549
C 1.641374 -2.014510 -1.493946
C -1.857910 -3.848671 0.780374
C -3.003772 -4.625208 0.097084
C -1.507310 1.665971 -0.521363
C 3.713245 1.137660 0.450143
C -3.024352 3.432950 0.374077
C -4.462617 3.066703 0.797495
H 0.720347 -2.874547 1.001990
H -0.410025 -1.536310 1.322242
H -0.689209 -0.586641 -1.778306
H 0.680755 0.564817 -1.659429
H 2.582880 -1.285980 1.030533
H 1.434969 0.066494 1.322514
H -0.676515 -3.541779 -1.019036
H -1.810164 -2.219938 -0.654833
H 0.933609 -2.438816 -2.228099
H 2.205915 -2.852815 -1.044747
H 2.357328 -1.372689 -2.035626
H -2.266388 -3.237564 1.611094
H -1.147014 -4.564426 1.241979
H -3.538292 -5.273843 0.815268
H -2.618121 -5.268441 -0.716427
H -3.742573 -3.931578 -0.347107
H -1.844662 1.987501 1.483319
H -2.997041 3.703898 -0.694934
H -2.668579 4.308410 0.951572
H 4.213577 1.936361 -1.415104
H 5.125665 2.565875 -0.038586
H -5.135142 3.932103 0.652758
H -4.508857 2.776195 1.863595
H -4.843551 2.225592 0.192605


