%chk=000117045.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117045

1 1
 O    3.035000       2.700900       2.264100    
 N   -3.209000     -4.0899999E-02 -0.9235000    
 N    2.938000       1.018300      0.5937000    
 C   -4.649700     -2.0900000E-02  -1.205700    
 C   -2.695200     -0.8592000      1.4200000E-02
 C   -5.324500       1.010800     -0.3093000    
 C   -1.302500     -0.8419000      0.2494000    
 C  -0.5067000      3.0200001E-02 -0.5058000    
 C   -6.827000       1.074700     -0.5765000    
 C   -2.458700      0.7968000      -1.651600    
 C   -1.088000      0.8552000      -1.462600    
 C   -3.526200      -1.714000      0.7450000    
 C  -0.7702000      -1.696200       1.227800    
 C   0.9409000      0.1255000     -0.3404000    
 C   -7.514200       2.073300      0.3411000    
 C   -2.979800      -2.555600       1.712900    
 C   -1.606300      -2.547100       1.953800    
 C    1.580700      0.9718000      0.4895000    
 C    3.777300      0.1231000     -0.2038000    
 C    3.592300       1.905900       1.500700    
 C    4.177500      0.5620000      -1.429400    
 C    4.098000      -1.085700      0.3356000    
 C    5.106900       1.885100       1.483100    
 C    4.977000     -0.2913000      -2.189900    
 C    4.897400      -1.938900     -0.4250000    
 C    5.337000      -1.541900      -1.687700    
 H   -4.782000      0.2607000      -2.259300    
 H   -5.083100      -1.021200      -1.139400    
 H   -4.879500       1.999600     -0.4758000    
 H   -5.150000      0.7663000      0.7451000    
 H   -7.008100       1.358700      -1.619600    
 H   -7.274000      8.5000001E-02 -0.4268000    
 H   -2.956800       1.426000      -2.380600    
 H  -0.4944000       1.540900      -2.060800    
 H   -4.602700      -1.757300      0.6306000    
 H   0.2943000      -1.724400       1.447000    
 H    1.472300     -0.5762000     -0.9775000    
 H   -8.588100       2.103600      0.1318000    
 H   -7.380700       1.797200       1.391900    
 H   -7.111200       3.080700      0.1964000    
 H   -3.625100      -3.216000       2.285300    
 H   -1.185300      -3.204200       2.709600    
 H    1.021400       1.660300       1.115000    
 H    3.897800       1.534700      -1.820100    
 H    3.756000      -1.394800       1.317700    
 H    5.319200      1.7999999E-02  -3.173100    
 H    5.177500      -2.912600     -3.3799998E-02
 H    5.481200       2.618500       2.205400    
 H    5.490100       2.167700      0.5000000    
 H    5.488700      0.9068000       1.784100    
 H    5.959400      -2.206200      -2.279900    


%chk=000117045-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117045

1 1
O 3.367803 3.657737 -0.469196
N -3.281141 0.652821 -0.822826
N 3.228291 1.339423 -0.157046
C -4.758238 0.854769 -0.983185
C -2.724070 -0.628433 -0.628930
C -5.524002 0.863993 0.359194
C -1.293249 -0.761105 -0.450089
C -0.435604 0.424396 -0.456137
C -7.040771 1.072899 0.134979
C -2.468802 1.756423 -0.821289
C -1.091293 1.676469 -0.645625
C -3.558517 -1.784288 -0.616742
C -0.769879 -2.081928 -0.274981
C 0.994646 0.320293 -0.278051
C -7.828060 1.091959 1.462477
C -3.001638 -3.055051 -0.441674
C -1.597259 -3.207229 -0.270214
C 1.855990 1.402929 -0.322413
C 3.895524 0.068391 0.101678
C 3.984588 2.589013 -0.247547
C 4.364289 -0.706697 -0.984005
C 4.057982 -0.372218 1.435368
C 5.479207 2.483507 -0.063957
C 5.017559 -1.933258 -0.726509
C 4.712664 -1.599899 1.683438
C 5.194121 -2.378929 0.604775
H -4.897252 1.821484 -1.497847
H -5.150991 0.077392 -1.660611
H -5.127999 1.674209 1.002265
H -5.358626 -0.084756 0.904790
H -7.208326 2.024622 -0.408149
H -7.434454 0.266398 -0.516490
H -2.964660 2.718284 -0.970138
H -0.533854 2.614082 -0.659388
H -4.638877 -1.693249 -0.741731
H 0.304731 -2.225950 -0.144271
H 1.432343 -0.664942 -0.102717
H -8.906552 1.240083 1.279767
H -7.708064 0.140934 2.013471
H -7.483698 1.910316 2.121094
H -3.652586 -3.934724 -0.436525
H -1.167727 -4.204130 -0.135452
H 1.518433 2.429838 -0.503673
H 4.223113 -0.352274 -2.010962
H 3.682121 0.239305 2.262954
H 5.391044 -2.534845 -1.561386
H 4.849990 -1.943300 2.713767
H 5.908047 3.493302 -0.128476
H 5.935151 1.844242 -0.840750
H 5.738331 2.035547 0.911318
H 5.707119 -3.326052 0.800545


