%chk=000072402.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072402

0 1
 O   -5.042200     -0.8267000      0.4094000    
 O   -3.239800       2.189000      0.8707000    
 O   -1.742000      -3.409200     -0.1853000    
 O   -5.656900       1.185200       1.192900    
 N  -0.2637000      -1.634900     -7.1699999E-02
 N    2.022600       1.140200      5.7900000E-02
 N    6.264700      -1.296100     -4.2199999E-02
 C   -3.552200       1.088100      1.3900000E-02
 C   -2.410400      0.1092000      7.1999999E-03
 C  -3.6499999E-02 -0.2699000     -7.7000000E-03
 C   -2.658100      -1.210800     -6.9200002E-02
 C    1.009600      -2.383500     -0.1033000    
 C   -1.043300      0.6067000      2.7200000E-02
 C    2.021700      -1.286900     -5.2499998E-02
 C    1.402200     -4.6500001E-02  2.7999999E-03
 C   -1.524500      -2.202100     -0.1134000    
 C   -3.847000       1.620400      -1.390500    
 C   -4.053300      -1.732300     -0.1275000    
 C   -4.826900      0.4953000      0.6034000    
 C    3.395600      -1.333600     -5.1600002E-02
 C    4.101000     -0.1202000      5.9000002E-03
 C   -4.970300       2.624500      -1.356000    
 C    3.370700       1.100900      5.9799999E-02
 C    5.504700     -0.1021000      1.1100000E-02
 C    4.091200       2.289300      0.1174000    
 C    6.195000       1.105600      6.8899997E-02
 C    5.488100       2.300600      0.1224000    
 H    1.057400      -2.962300      -1.030400    
 H    1.054100      -3.042500      0.7688000    
 H  -0.8610000       1.674800      6.2799998E-02
 H   -4.106100      0.8068000      -2.079000    
 H   -2.957900       2.121100      -1.794500    
 H   -4.336700      -1.969200      -1.158400    
 H   -4.141400      -2.649500      0.4640000    
 H    3.874700      -2.304500     -9.4499998E-02
 H   -5.938100       2.160500      -1.143900    
 H   -4.798700       3.430200     -0.6357000    
 H   -5.066500       3.094600      -2.341500    
 H   -2.998500       1.837100       1.745100    
 H    3.563500       3.240600      0.1600000    
 H    7.281600       1.129800      7.3299997E-02
 H    6.021100       3.245900      0.1680000    
 H    5.835700      -2.207600     -8.4500000E-02
 H    7.275100      -1.236600     -3.5599999E-02


%chk=000072402-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072402

0 1
O -4.933637 -0.822170 0.725549
O -3.192307 2.442938 0.675907
O -1.679270 -3.364807 -0.372758
O -5.351573 1.196842 1.716170
N -0.245248 -1.520808 -0.180955
N 2.146454 1.157321 0.131107
N 6.408733 -1.394208 -0.053148
C -3.562953 1.181421 0.048168
C -2.356661 0.247908 -0.006196
C 0.014818 -0.155396 -0.030982
C -2.611185 -1.119145 -0.146000
C 0.990630 -2.347569 -0.252894
C -1.025209 0.758979 0.062144
C 2.076027 -1.300405 -0.126429
C 1.476710 0.003255 0.001944
C -1.537554 -2.101856 -0.243081
C -4.085006 1.469899 -1.403758
C -4.025758 -1.632457 -0.157446
C -4.683707 0.525087 0.897543
C 3.460807 -1.400711 -0.114889
C 4.240895 -0.203558 0.024307
C -5.316645 2.394485 -1.444915
C 3.536051 1.071388 0.143597
C 5.690412 -0.204048 0.051524
C 4.268502 2.288820 0.279027
C 6.373419 1.023926 0.186034
C 5.665974 2.251375 0.297320
H 1.008228 -2.906786 -1.206729
H 0.982755 -3.095489 0.561691
H -0.832325 1.821682 0.206356
H -4.298630 0.516818 -1.924304
H -3.239960 1.945086 -1.936439
H -4.478988 -1.631523 -1.167193
H -4.074390 -2.655735 0.244472
H 3.937401 -2.382883 -0.212622
H -6.198365 1.936808 -0.961508
H -5.101019 3.348620 -0.934670
H -5.584627 2.620887 -2.492214
H -3.895757 2.649093 1.354001
H 3.703824 3.220034 0.366058
H 7.469832 1.028930 0.206643
H 6.236094 3.181036 0.401003
H 5.957260 -2.298406 -0.134977
H 7.424248 -1.375278 -0.032458


