%chk=000155514.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155514

0 1
 O  -7.0799999E-02   3.103600     -0.1701000    
 O   -2.620400       3.931100     -4.3099999E-02
 O    4.531800      -1.329200     -0.2624000    
 O    4.138300       1.295700      0.5503000    
 N   -2.699600      -2.487600     -0.2255000    
 C   -1.526100      -1.653500      0.1433000    
 C   -1.812700     -0.1503000      6.4400002E-02
 C  -0.3025000      -1.973600     -0.7450000    
 C   -3.140700      0.3181000      9.8999999E-02
 C   -3.882200      -2.051000      0.5339000    
 C  -0.7290000      0.7640000      2.1800000E-02
 C   -4.294000     -0.6462000      0.1032000    
 C   0.8780000      -1.094800     -0.3963000    
 C   0.6585000      0.2480000     -2.0600000E-02
 C   -3.396300       1.692100      6.1400000E-02
 C   -2.468900      -3.913800      2.8500000E-02
 C   -1.025800       2.138400     -1.2300000E-02
 C    2.180400      -1.609400     -0.4887000    
 C   -2.343400       2.597000      9.3000000E-03
 C    1.783200       1.029600      0.2992000    
 C    3.275900     -0.8104000     -0.1776000    
 C    3.077000      0.5061000      0.2218000    
 C    5.055700      -1.954900      0.9078000    
 C    4.733600       2.051000     -0.5023000    
 H   -1.263200      -1.854800       1.193500    
 H  -0.5401000      -1.825900      -1.807000    
 H  -3.3000000E-03  -3.019100     -0.6138000    
 H   -3.684200      -2.078000       1.614200    
 H   -4.731900      -2.719300      0.3453000    
 H   -5.078800     -0.2866000      0.7795000    
 H   -4.715900     -0.6802000     -0.9094000    
 H   -4.424200       2.047800      6.5700002E-02
 H   -2.180200      -4.107600       1.067700    
 H   -1.698000      -4.319000     -0.6333000    
 H   -3.373000      -4.495100     -0.1880000    
 H    2.337700      -2.639500     -0.8003000    
 H    1.696800       2.044200      0.6723000    
 H  -0.4966000       3.978200     -0.1855000    
 H   -3.584400       4.058000     -2.2800000E-02
 H    6.065300      -2.309700      0.6835000    
 H    4.438200      -2.812700       1.192800    
 H    5.111500      -1.240200       1.734900    
 H    4.007600       2.749000     -0.9313000    
 H    5.122600       1.387400      -1.281100    
 H    5.565300       2.624700     -8.4500000E-02


%chk=000155514-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155514

0 1
O -0.104019 3.134975 0.007895
O -2.581185 4.003688 0.055479
O 4.497078 -1.461342 -0.308514
O 4.121322 1.284600 0.651619
N -2.753734 -2.518732 -0.197423
C -1.571216 -1.661052 0.087687
C -1.904149 -0.162130 0.054370
C -0.416175 -1.920681 -0.905989
C -3.242967 0.291889 0.066670
C -3.941858 -2.074174 0.571651
C -0.801798 0.763390 0.032065
C -4.395438 -0.698814 0.067373
C 0.791178 -1.095122 -0.502286
C 0.589632 0.239765 -0.027666
C -3.516449 1.683298 0.069764
C -2.478767 -3.954612 0.024683
C -1.104624 2.150346 0.041694
C 2.093467 -1.628962 -0.570511
C -2.452417 2.590640 0.057558
C 1.729207 1.003172 0.344179
C 3.218902 -0.870231 -0.184921
C 3.027512 0.468525 0.257796
C 5.273879 -1.547489 0.950355
C 5.001249 1.679418 -0.471575
H -1.178958 -1.892508 1.118742
H -0.769745 -1.646792 -1.920763
H -0.142568 -2.988928 -0.928458
H -3.729017 -2.026576 1.671425
H -4.748194 -2.815667 0.423187
H -5.226083 -0.321308 0.695044
H -4.787351 -0.816401 -0.962151
H -4.555979 2.036253 0.083405
H -2.134214 -4.180041 1.066359
H -1.711202 -4.322038 -0.676147
H -3.401257 -4.531150 -0.163990
H 2.259730 -2.655271 -0.915387
H 1.620555 2.033685 0.684088
H -0.553916 4.022270 -0.025879
H -3.524930 4.288351 0.035775
H 6.248644 -1.970627 0.662969
H 4.764625 -2.224596 1.662626
H 5.398570 -0.550011 1.407680
H 4.435940 2.288731 -1.202336
H 5.424253 0.790061 -0.974915
H 5.803668 2.283799 -0.020828


