%chk=000045464.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045464

0 1
 O    1.149400      -3.213500      -1.786300    
 O  -0.2102000       3.005600      -1.080300    
 N  -0.4449000      -1.040200       1.811700    
 N    4.024400     -8.5199997E-02  0.6745000    
 C   0.6614000      -2.067100      -1.076200    
 C  -0.3851000      -2.547600     -4.7800001E-02
 C    1.820400      -1.340500     -0.4694000    
 C   -1.069000      -1.416800      0.6786000    
 C    1.845400      5.5100001E-02 -0.3453000    
 C   -2.236000     -0.8512000      0.1774000    
 C    2.982600      0.6495000      0.2407000    
 C    2.892300      -2.100200     -2.3300000E-02
 C   -2.808600      0.2023000      0.9197000    
 C   0.7760000      0.8526000     -0.7870000    
 C   -2.848300      -1.281800      -1.011200    
 C    3.007000       2.036000      0.3637000    
 C    3.960800      -1.429300      0.5363000    
 C   0.8269000       2.237000     -0.6515000    
 C   -2.183300      0.6164000       2.101500    
 C   -3.988100      0.8049000      0.4527000    
 C    1.943900       2.829000     -7.5499997E-02
 C   -1.021300     -2.9200001E-02   2.495800    
 C   -4.019600     -0.6720000      -1.460200    
 C   -4.588300      0.3690000     -0.7299000    
 C  -8.7700002E-02   4.417200     -0.9087000    
 H   0.1815000      -1.468600      -1.855000    
 H   0.1198000      -3.178700      0.6990000    
 H   -1.102200      -3.239100     -0.5042000    
 H    2.913400      -3.182600     -8.2000002E-02
 H  -0.1073000      0.4446000      -1.263900    
 H   -2.439400      -2.077800      -1.625400    
 H   0.3865000      -3.645100      -2.207600    
 H    3.871200       2.523100      0.8120000    
 H    4.825200      -1.970500      0.9065000    
 H   -2.586900       1.423700       2.704800    
 H   -4.449200       1.619800       1.006600    
 H    2.056800       3.898700      6.4199999E-02
 H  -0.5065000      0.2641000       3.404900    
 H   -4.486900      -1.006400      -2.381900    
 H   -5.499800      0.8436000      -1.081500    
 H   -1.002000       4.871400      -1.304500    
 H   0.7483000       4.821800      -1.489100    
 H  -2.7600000E-02   4.689500      0.1505000    


%chk=000045464-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045464

0 1
O 1.224393 -3.315092 -1.806144
O -0.266386 3.016733 -1.257188
N -0.577552 -1.356419 2.008564
N 4.037287 -0.034591 0.716581
C 0.634744 -2.156393 -1.104433
C -0.364835 -2.683251 -0.016519
C 1.796825 -1.379232 -0.503198
C -1.074943 -1.600616 0.775383
C 1.795757 0.061961 -0.397871
C -2.206125 -0.873846 0.233338
C 2.953562 0.683840 0.226811
C 2.903877 -2.077719 -0.014054
C -2.796007 0.168676 1.048093
C 0.743328 0.903084 -0.871174
C -2.767815 -1.133928 -1.060422
C 2.998998 2.106795 0.348253
C 3.992988 -1.373670 0.585271
C 0.824987 2.295963 -0.742590
C -2.232091 0.414505 2.341679
C -3.912362 0.911525 0.542430
C 1.961545 2.911203 -0.123855
C -1.153594 -0.357261 2.771382
C -3.858150 -0.396343 -1.528930
C -4.433178 0.636581 -0.723072
C -0.230906 4.477483 -1.158490
H 0.086355 -1.527432 -1.834466
H 0.211299 -3.298747 0.693900
H -1.103583 -3.337107 -0.524038
H 2.942066 -3.165764 -0.110421
H -0.150226 0.494049 -1.350406
H -2.345559 -1.926669 -1.686609
H 0.491619 -3.889939 -2.144770
H 3.884762 2.538208 0.824384
H 4.857387 -1.927095 0.971260
H -2.648941 1.197754 2.984112
H -4.350297 1.699866 1.165900
H 2.026476 3.998360 -0.021129
H -0.700606 -0.204705 3.756650
H -4.279400 -0.606566 -2.518145
H -5.285994 1.208129 -1.105338
H -1.169469 4.816374 -1.621467
H 0.629750 4.900431 -1.712307
H -0.194985 4.812364 -0.103554


