%chk=000152070.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152070

0 1
 O   0.3748000      -2.089200      -1.016600    
 O  -0.9861000       3.761900     -0.8933000    
 O    4.812200      -1.158400      0.1893000    
 N  -0.2000000      0.7417000     -0.2373000    
 N   -3.591600     -0.7890000      5.0299998E-02
 N    3.237600      0.5412000      0.4045000    
 N    1.365400       2.134000      0.5251000    
 N    2.603500      -1.646400     -0.4190000    
 C   -1.498200      0.2639000     -0.6535000    
 C   -2.281000     -0.3437000      0.5068000    
 C   0.9672000      3.3300001E-02 -0.2230000    
 C    1.908100      0.9081000      0.2475000    
 C   9.0700001E-02   2.000400      0.2217000    
 C    1.233000      -1.318000     -0.5964000    
 C   -4.358700      0.3348000     -0.4907000    
 C   -4.329000      -1.427600       1.142100    
 C    3.643000     -0.7752000      6.9799997E-02
 C  -0.9423000       3.050600      0.3424000    
 C    4.203300       1.509000      0.9101000    
 C   -5.701500     -0.1268000      -1.031400    
 C   -3.551000      -2.597900       1.719300    
 C    3.000500      -3.006700     -0.7679000    
 H   -1.983100       1.126700      -1.114100    
 H   -1.358700     -0.4602000      -1.463200    
 H   -1.679500      -1.180700      0.8768000    
 H   -2.368600      0.3748000       1.332400    
 H   -4.507000       1.128300      0.2523000    
 H   -3.865200      0.7797000      -1.357500    
 H   -4.573100     -0.7175000       1.942400    
 H   -5.270100      -1.850400      0.7756000    
 H   -1.939900       2.664600      0.5640000    
 H  -0.6825000       3.759000       1.135700    
 H    5.205200       1.077900      0.9791000    
 H    3.890500       1.836100       1.906500    
 H    4.234300       2.367800      0.2325000    
 H   -5.598800      -1.002000      -1.682200    
 H   -6.416600     -0.3565000     -0.2356000    
 H   -6.151100      0.6734000      -1.630500    
 H   -3.162100      -3.256300      0.9349000    
 H   -2.724200      -2.276600       2.360500    
 H   -4.213900      -3.201400       2.350000    
 H    2.167100      -3.612300      -1.130700    
 H    3.433400      -3.481900      0.1182000    
 H    3.774100      -2.957000      -1.540800    
 H  -0.1291000       4.207600      -1.008000    


%chk=000152070-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000152070

0 1
O 0.257772 -2.236233 -0.270604
O -1.276682 3.479802 -1.738861
O 4.753526 -1.192679 0.691134
N -0.206323 0.861663 -0.321948
N -3.655345 -0.606035 0.313439
N 3.269952 0.606950 0.429778
N 1.512989 2.315615 0.096342
N 2.510876 -1.675944 0.205978
C -1.566192 0.349182 -0.615967
C -2.274168 -0.206634 0.647147
C 0.938864 0.086479 -0.083483
C 1.970391 1.010720 0.163182
C 0.180218 2.189948 -0.192228
C 1.139866 -1.340918 -0.074577
C -4.658197 0.462313 0.552748
C -4.038532 -1.949688 0.820158
C 3.585413 -0.771489 0.456534
C -0.744162 3.358773 -0.364099
C 4.327246 1.604965 0.682512
C -5.898604 0.348472 -0.354290
C -3.352275 -3.090365 0.043331
C 2.874574 -3.111514 0.249801
H -2.144680 1.170943 -1.067699
H -1.484011 -0.464731 -1.353386
H -1.704493 -1.083970 0.999112
H -2.240568 0.558248 1.459323
H -4.977041 0.492337 1.625874
H -4.166448 1.433056 0.346744
H -3.818870 -2.049907 1.913022
H -5.133557 -2.051043 0.710378
H -1.649726 3.257834 0.257307
H -0.195157 4.266476 -0.053634
H 5.263286 1.058002 0.865882
H 4.065276 2.219376 1.560066
H 4.437799 2.268387 -0.191518
H -5.595144 0.365058 -1.415418
H -6.458130 -0.587151 -0.174556
H -6.590156 1.191432 -0.168360
H -3.649429 -3.055539 -1.019710
H -2.250741 -3.018262 0.087443
H -3.646942 -4.071672 0.460883
H 1.959013 -3.687878 0.053618
H 3.289239 -3.365470 1.238863
H 3.640669 -3.330592 -0.511698
H -0.520394 3.634785 -2.360467


