%chk=000056002.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056002

0 1
 O   -1.283500       3.672000      0.2376000    
 O    4.555600      9.3999999E-03  -1.864800    
 N   -4.679600     -8.9900002E-02  4.9999999E-03
 N   -2.318100       1.580700      0.1371000    
 N    3.948600      0.1682000      0.4012000    
 C   -4.669400       1.253700     -0.5804000    
 C   -3.470300     -0.5554000      0.6892000    
 C   -3.663600       2.147300      0.1412000    
 C   -2.226700      0.1175000      0.1081000    
 C   -5.814300     -0.8936000     -7.2800003E-02
 C   -1.220300       2.443600      0.2126000    
 C   0.1262000       1.851600      0.2614000    
 C   -6.122000      -1.833900      0.9388000    
 C   -6.707200     -0.8043000      -1.166900    
 C   0.8169000       1.605200     -0.9217000    
 C   0.7008000       1.541000       1.490600    
 C   -7.258200      -2.639200      0.8607000    
 C   -7.843600      -1.609300      -1.244800    
 C   -8.119200      -2.526700     -0.2309000    
 C    2.092900       1.043400     -0.8753000    
 C    1.976800      0.9794000       1.537000    
 C    2.672700      0.7304000      0.3541000    
 C    4.791200     -0.1507000     -0.6720000    
 C    6.090300     -0.7703000     -0.3001000    
 C    7.170000     -0.6080000      -1.142400    
 C    6.173000      -1.486800      0.8752000    
 C    8.389000      -1.189100     -0.7930000    
 C    7.392100      -2.067700       1.224700    
 C    8.500000      -1.918800      0.3905000    
 H   -5.658000       1.721900     -0.5007000    
 H   -4.410600       1.182600      -1.643900    
 H   -3.350500      -1.639900      0.5779000    
 H   -3.551500     -0.3306000       1.759600    
 H   -3.648600       3.143500     -0.3143000    
 H   -3.950300       2.274400       1.192500    
 H   -1.341700     -0.2256000      0.6499000    
 H   -2.099400     -0.1660000     -0.9439000    
 H   -5.480200      -1.939400       1.810700    
 H   -6.516800     -0.1089000      -1.981400    
 H   0.3719000       1.845500      -1.883700    
 H   0.1661000       1.730500       2.417500    
 H   -7.474700      -3.351800       1.651300    
 H   -8.512700      -1.524000      -2.096000    
 H   -9.004000      -3.153600     -0.2915000    
 H    2.566400      0.8810000      -1.833200    
 H    2.415800      0.7402000       2.502300    
 H    4.295300      2.0900000E-02   1.344800    
 H    7.102400     -3.7900001E-02  -2.064100    
 H    5.328200      -1.663300       1.532500    
 H    9.252200      -1.072500      -1.441800    
 H    7.476800      -2.644200       2.141400    
 H    9.448700      -2.372800      0.6616000    


%chk=000056002-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056002

0 1
O -1.455317 3.253229 1.219140
O 4.327795 -0.919137 -1.605261
N -4.870810 -0.103504 -0.111134
N -2.367203 1.368319 0.231258
N 4.179139 0.243180 0.429903
C -4.723300 1.289536 -0.575386
C -3.690644 -0.721042 0.517546
C -3.687220 2.047714 0.270429
C -2.394714 -0.089996 -0.032323
C -6.078077 -0.805604 -0.256191
C -1.277750 2.094647 0.710080
C 0.106831 1.516520 0.600527
C -6.307357 -2.034594 0.439579
C -7.119061 -0.315901 -1.106467
C 0.562905 0.747707 -0.500884
C 1.043199 1.871092 1.607455
C -7.520574 -2.734851 0.282982
C -8.329602 -1.024314 -1.243766
C -8.546399 -2.240750 -0.555661
C 1.900532 0.315820 -0.598777
C 2.374358 1.434188 1.535248
C 2.818202 0.647077 0.434552
C 4.861209 -0.519497 -0.524653
C 6.300660 -0.823612 -0.194330
C 7.155852 -1.152066 -1.277755
C 6.822342 -0.833410 1.127303
C 8.512798 -1.457708 -1.050047
C 8.180751 -1.144933 1.354728
C 9.031010 -1.450494 0.266951
H -5.689809 1.814909 -0.463983
H -4.443949 1.339062 -1.651236
H -3.667663 -1.800254 0.274153
H -3.710246 -0.630136 1.626345
H -3.561718 3.077574 -0.105424
H -4.038847 2.133568 1.318060
H -1.525237 -0.566811 0.449032
H -2.336763 -0.296610 -1.120245
H -5.552989 -2.430923 1.126554
H -6.974806 0.601844 -1.684866
H -0.120177 0.509207 -1.322887
H 0.706217 2.508580 2.430731
H -7.668184 -3.671156 0.834211
H -9.106383 -0.625035 -1.906677
H -9.487774 -2.787796 -0.669591
H 2.249186 -0.258138 -1.458428
H 3.080585 1.710025 2.329255
H 4.738281 0.593772 1.210748
H 6.728893 -1.167314 -2.285674
H 6.174646 -0.647310 1.993532
H 9.165554 -1.703197 -1.894598
H 8.571742 -1.160888 2.377802
H 10.084784 -1.690888 0.445537


