%chk=000006292.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006292

0 1
 O  -0.1260000      -2.064300      0.2085000    
 N   0.3735000      0.2377000      0.1926000    
 N   -1.415500       1.799900      5.2700002E-02
 C    1.788300     -1.5000000E-02  0.1860000    
 C  -0.1498000       1.532300      0.1536000    
 C   -1.923900     -0.5900000      0.1111000    
 C  -0.4785000     -0.8872000      0.1956000    
 C    2.477800     -0.1394000      -1.014500    
 C   -2.328900      0.7415000      1.8300001E-02
 C    2.453300     -0.1337000       1.401200    
 C   -2.865600      -1.625800      9.8399997E-02
 C   0.7681000       2.729900      0.2914000    
 C    3.850600     -0.3861000      -1.000100    
 C   -3.694800       1.028500     -8.7300003E-02
 C    1.781600     -1.5100000E-02  -2.330900    
 C    3.826100     -0.3803000       1.415700    
 C    4.524800     -0.5066000      0.2151000    
 C   -4.223000      -1.326300     -6.6000000E-03
 C   -4.638000     -9.9999997E-05 -0.1007000    
 H    1.918000     -3.7000000E-02   2.342000    
 H   -2.562700      -2.666900      0.1666000    
 H    1.504900       2.732500     -0.5159000    
 H    1.292100       2.682900       1.250000    
 H   0.1981000       3.662500      0.2476000    
 H    4.410700     -0.4871000      -1.926000    
 H   -4.033600       2.059600     -0.1565000    
 H    1.324500      0.9739000      -2.435800    
 H    2.474500     -0.1409000      -3.170300    
 H    1.009100     -0.7841000      -2.432500    
 H    4.351100     -0.4740000       2.361900    
 H    5.593700     -0.6987000      0.2267000    
 H   -4.956700      -2.127100     -1.6899999E-02
 H   -5.695400      0.2341000     -0.1825000    


%chk=000006292-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006292

0 1
O -0.012807 -2.048795 -0.168655
N 0.350039 0.258385 0.114205
N -1.459989 1.849211 0.221610
C 1.789843 0.017256 0.155980
C -0.163486 1.574014 0.216107
C -1.945153 -0.577358 -0.005711
C -0.505184 -0.891589 -0.033164
C 2.507066 -0.201132 -1.050752
C -2.373109 0.782417 0.124063
C 2.432104 -0.002031 1.412073
C -2.901205 -1.621641 -0.109186
C 0.822712 2.713957 0.311213
C 3.904571 -0.416674 -0.949228
C -3.765868 1.071847 0.148655
C 1.803145 -0.232484 -2.392014
C 3.823998 -0.221177 1.489789
C 4.561712 -0.425255 0.301617
C -4.272951 -1.321520 -0.081446
C -4.702806 0.030287 0.047870
H 1.836469 0.139015 2.320670
H -2.536903 -2.649478 -0.207698
H 1.562389 2.683892 -0.508642
H 1.392665 2.683995 1.256946
H 0.255306 3.654259 0.264806
H 4.480215 -0.587514 -1.866448
H -4.072543 2.117456 0.247060
H 1.148105 0.646317 -2.538815
H 2.529534 -0.261853 -3.221263
H 1.162363 -1.130991 -2.463574
H 4.322935 -0.240096 2.464339
H 5.642649 -0.597505 0.348748
H -5.013275 -2.124739 -0.158942
H -5.774137 0.259122 0.068287


