%chk=000156068.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156068

0 1
 O  -0.3893000      3.8400002E-02   2.696500    
 O   -1.332500      -3.906000      -1.124100    
 O    1.109200      -3.330400     -0.2198000    
 O    2.536600       1.842300      0.2836000    
 N   0.5827000      -1.068200      4.4700000E-02
 N   -1.106100     -0.2058000       1.544200    
 N   0.2761000       1.208100      0.2384000    
 N    4.876800     -8.2000002E-02   1.226500    
 N    6.142200      0.8837000     -0.3221000    
 C   -1.615700     -0.1384000     -0.8337000    
 C  -0.4570000     -4.2100001E-02  0.2348000    
 C   -1.513900      0.8989000      -1.960300    
 C   -1.692200      -1.562200      -1.442100    
 C   -2.832600      0.1160000      4.1800000E-02
 C   -1.180200      -2.646300     -0.4897000    
 C   -2.469700      6.1900001E-02   1.393000    
 C   0.2972000      -2.408100     -0.1988000    
 C  -0.2771000      0.5747000      -2.819700    
 C   -2.773900      0.7965000      -2.840800    
 C    1.827600     -0.4683000      9.6100003E-02
 C   -1.390000       2.337800      -1.477700    
 C    1.651600       1.007700      0.2206000    
 C   -4.146000      0.3585000     -0.3337000    
 C   -3.410200      0.2535000       2.391600    
 C   -5.098800      0.5541000      0.6677000    
 C    3.041100      -1.018100      1.4500000E-02
 C   -4.733400      0.5026000       2.020900    
 C  -0.7616000       3.350800      -2.087100    
 C  -0.4882000       1.436500       2.941800    
 C    4.272500     -0.2835000      3.6200002E-02
 C    5.042900      0.3043000     -0.9051000    
 C    6.011700      0.6329000      0.9616000    
 H   -1.145500      -1.705600      -2.372400    
 H   -2.727600      -1.825700      -1.698100    
 H   -1.743800      -2.671900      0.4476000    
 H  -0.1168000       2.118800      0.4470000    
 H  -0.1739000       1.281800      -3.652400    
 H   0.6685000      0.6097000      -2.278600    
 H  -0.3214000     -0.3782000      -3.348900    
 H   -3.555700       1.510800      -2.561700    
 H   -3.186400     -0.2052000      -2.974300    
 H   -2.518200       1.113800      -3.863300    
 H   -1.966200       2.611200     -0.5942000    
 H   -4.527400      0.2999000      -1.339700    
 H   -3.141800      0.2038000       3.441700    
 H   -1.070700      -4.589100     -0.4832000    
 H   -6.138700      0.7212000      0.3997000    
 H    3.154100      -2.091900     -8.8799998E-02
 H   -5.489800      0.6484000       2.787300    
 H  -0.8036000       4.344100      -1.650500    
 H  -0.2059000       3.254300      -3.009700    
 H   -1.163900       2.018200       2.305300    
 H   0.5144000       1.872300       2.884600    
 H  -0.8288000       1.563900       3.974900    
 H    4.564800     -0.3908000       2.138600    
 H    4.885500      0.3548000      -1.972900    
 H    6.694200      0.9369000       1.742500    


%chk=000156068-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156068

0 1
O -0.407924 0.006923 2.663630
O -1.383135 -3.852316 -1.097654
O 1.125038 -3.210971 -0.376672
O 2.548002 2.035090 0.343060
N 0.605201 -0.943748 -0.065773
N -1.149819 -0.161333 1.446615
N 0.327463 1.296807 0.154776
N 4.867929 0.718212 0.401352
N 6.750103 -0.551905 0.430318
C -1.709431 -0.012074 -0.912265
C -0.471811 0.075168 0.138862
C -1.606653 1.076795 -2.091338
C -1.750935 -1.464238 -1.503128
C -2.933569 0.154667 0.023725
C -1.219500 -2.529985 -0.519529
C -2.533220 0.076169 1.384279
C 0.276052 -2.266757 -0.281342
C -0.264947 0.971410 -2.868170
C -2.741174 0.853161 -3.149855
C 1.913632 -0.371285 0.105282
C -1.856584 2.483653 -1.531649
C 1.696566 1.089744 0.221839
C -4.310393 0.208403 -0.263522
C -3.447786 0.112115 2.455863
C -5.253661 0.264432 0.795475
C 3.095476 -1.089816 0.119400
C -4.822087 0.225214 2.141635
C -1.114906 3.601964 -1.741956
C -0.374373 1.423077 3.174990
C 4.442947 -0.615923 0.256788
C 5.643352 -1.375374 0.279412
C 6.238928 0.710498 0.500584
H -1.149242 -1.542450 -2.425598
H -2.789616 -1.727663 -1.760759
H -1.763526 -2.478614 0.443676
H -0.099281 2.219568 0.040402
H -0.257520 1.713303 -3.686610
H 0.621028 1.155041 -2.242992
H -0.151369 -0.021013 -3.336647
H -3.741546 1.094215 -2.758414
H -2.748659 -0.181685 -3.532929
H -2.557942 1.528672 -4.003985
H -2.785245 2.574971 -0.947402
H -4.677120 0.192434 -1.292973
H -3.102403 0.016833 3.489413
H -0.501846 -4.316765 -1.000400
H -6.322193 0.322964 0.564924
H 2.997462 -2.175356 0.009850
H -5.558777 0.256978 2.951774
H -1.435088 4.572167 -1.344876
H -0.183564 3.594634 -2.319665
H -1.377933 1.880919 3.122099
H 0.363357 2.024014 2.619788
H -0.064233 1.306135 4.225082
H 4.179526 1.503321 0.415674
H 5.745717 -2.456109 0.196086
H 6.836433 1.611009 0.619747


