%chk=000152914.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152914

0 1
 O    1.944900      0.5325000      -1.948700    
 O   3.8800001E-02   2.679300       1.672900    
 O   -1.228500       3.930000      0.2660000    
 N   0.7833000      0.9883000      9.2000002E-03
 N    1.961500      -1.828300      0.1315000    
 N   -4.090500      -1.058200      0.5516000    
 N   -5.727600      -1.857000      -1.014100    
 N   -5.853400      -2.420100       1.190900    
 C    4.062900     -0.7180000     -0.5071000    
 C    5.012900      -1.603200      0.3281000    
 C    2.660500     -0.5410000      9.7000003E-02
 C  -0.1956000       1.883900     -0.5632000    
 C   -1.444900       1.148300      -1.055900    
 C    1.781200      0.3819000     -0.7393000    
 C   -2.202400      0.3905000      4.1000001E-02
 C    6.374300      -1.796000     -0.3415000    
 C    5.204200     -0.9867000       1.716800    
 C   -3.406600     -0.3495000     -0.5314000    
 C  -0.5213000       2.950800      0.4651000    
 C   -5.153900      -1.727300      0.2311000    
 H    4.517000      0.2727000     -0.6457000    
 H    3.979500      -1.147200      -1.515400    
 H    4.576400      -2.601200      0.4497000    
 H    2.726400     -0.1257000       1.107600    
 H   0.2782000       2.397400      -1.408500    
 H   -2.126500       1.872200      -1.520400    
 H   -1.153200      0.4390000      -1.841000    
 H   0.7094000      0.7688000      0.9987000    
 H   -1.537500     -0.3309000      0.5313000    
 H   -2.540100       1.086500      0.8182000    
 H    6.256300      -2.255100      -1.328700    
 H    7.017200      -2.449700      0.2575000    
 H    6.889900     -0.8387000     -0.4730000    
 H    4.287400      -1.032600       2.311600    
 H    5.968700      -1.534500       2.279300    
 H    5.524400      5.8699999E-02   1.651000    
 H    1.037200      -1.702500      0.5441000    
 H    2.451300      -2.472300      0.7505000    
 H   -4.083800      0.3743000      -1.001100    
 H   -3.065800      -1.060400      -1.293900    
 H  -0.1869000       3.360500       2.341700    
 H   -6.566800      -2.411000      -1.147500    
 H   -5.339400      -1.411500      -1.837800    
 H   -6.686700      -2.950100      0.9608000    
 H   -5.552800      -2.420900       2.159500    


%chk=000152914-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152914

0 1
O 1.750765 0.428467 -1.848207
O -0.248298 2.914473 1.753482
O -1.413242 4.029029 0.081296
N 0.824497 1.126628 0.160311
N 1.923737 -1.846503 0.405507
N -3.981999 -1.197080 0.454900
N -5.722132 -1.943674 -1.074460
N -5.910024 -2.289622 1.239632
C 3.985707 -0.737209 -0.424445
C 4.998955 -1.660438 0.303907
C 2.619254 -0.556965 0.273193
C -0.166384 1.985448 -0.500321
C -1.375788 1.178820 -1.077037
C 1.719074 0.372385 -0.581529
C -2.191803 0.426215 -0.008691
C 6.297550 -1.762985 -0.532107
C 5.311729 -1.180001 1.741561
C -3.261878 -0.495293 -0.626848
C -0.673210 3.084672 0.421946
C -5.129792 -1.776577 0.189261
H 4.444481 0.265233 -0.542001
H 3.789494 -1.115313 -1.444971
H 4.572903 -2.685610 0.369550
H 2.787096 -0.054342 1.260054
H 0.328227 2.475736 -1.362394
H -2.019480 1.888229 -1.631750
H -0.949431 0.469449 -1.810728
H 0.862791 1.134396 1.181492
H -1.524956 -0.199331 0.614523
H -2.700276 1.132944 0.675824
H 6.087733 -2.130786 -1.553528
H 7.024089 -2.451148 -0.061320
H 6.780673 -0.770942 -0.623487
H 4.411129 -1.177320 2.382736
H 6.062290 -1.835736 2.221112
H 5.721858 -0.151484 1.726454
H 1.047015 -1.857732 0.926568
H 2.509005 -2.671514 0.527205
H -3.942113 0.117809 -1.269644
H -2.749451 -1.219435 -1.302905
H -0.630944 3.638313 2.318503
H -6.731235 -2.044587 -1.159309
H -5.195705 -1.694192 -1.906658
H -6.437068 -3.149690 1.092842
H -5.525244 -2.126736 2.168981


