%chk=000047190.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047190

0 1
 O  -0.6977000      -2.051600     -0.5679000    
 N    1.284400     -3.5500001E-02  0.1406000    
 N   0.9636000      -1.105800       2.268200    
 C    3.285300       1.250100     -0.5277000    
 C  -0.7904000      -1.179100      0.5471000    
 C    2.614100      0.4096000      0.5647000    
 C   0.6065000     -0.7286000      0.9924000    
 C   -1.661500      9.9999998E-03  0.2082000    
 C    2.460100       2.488100     -0.8815000    
 C    4.712100       1.646200     -0.1459000    
 C   -2.431300      0.5897000       1.202400    
 C   -1.670700      0.4943000      -1.088800    
 C   0.1160000      -3.182400     -0.2823000    
 C   -3.234600       1.686500      0.8900000    
 C   -2.474000       1.591200      -1.401000    
 C   -3.255800       2.187200     -0.4115000    
 C   0.1739000      -4.070100      -1.507200    
 H    3.347400      0.6340000      -1.434900    
 H   -1.276500      -1.738000       1.358200    
 H    3.245300     -0.4626000      0.7770000    
 H    2.539100       1.009700       1.480600    
 H    2.326900       3.136000     -8.3999997E-03
 H    2.955000       3.073600      -1.663800    
 H    1.468400       2.214400      -1.255600    
 H    4.720600       2.275600      0.7503000    
 H    5.193200       2.202800     -0.9569000    
 H    5.319900      0.7583000      5.7399999E-02
 H   -2.419500      0.2086000       2.219400    
 H   -1.062700      5.2800000E-02  -1.872800    
 H    1.141400      -2.889400     -3.7000000E-02
 H  -0.3078000      -3.742900      0.5585000    
 H   0.3423000      -1.650000       2.857600    
 H    1.862000     -0.8594000       2.668200    
 H   -3.842700       2.151200       1.660600    
 H   -2.488700       1.983000      -2.413900    
 H   -3.880500       3.041800     -0.6545000    
 H   0.7890000      -4.955000      -1.321000    
 H  -0.8314000      -4.393600      -1.796500    
 H   0.5899000      -3.523500      -2.360100    


%chk=000047190-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047190

0 1
O -1.139776 -0.941515 -1.802034
N 1.606466 -0.008074 0.356586
N 0.473964 1.241624 -1.387822
C 3.801248 0.525917 1.403516
C -0.577850 -0.772517 -0.454033
C 2.712008 0.977611 0.401949
C 0.617913 0.200315 -0.478494
C -1.690176 -0.272243 0.474117
C 4.421488 -0.818101 0.963716
C 4.877051 1.622310 1.568476
C -1.390410 -0.028567 1.838782
C -3.007964 -0.064339 0.002590
C -0.291623 -1.779753 -2.674019
C -2.398423 0.420390 2.719129
C -4.015028 0.388845 0.886867
C -3.715375 0.632623 2.246331
C -0.983287 -1.871611 -4.032979
H 3.294165 0.368195 2.377042
H -0.182923 -1.737234 -0.074025
H 2.335048 1.982445 0.708133
H 3.186484 1.104148 -0.603163
H 4.973745 -0.700178 0.009811
H 5.131329 -1.199080 1.721309
H 3.626497 -1.569097 0.813866
H 5.388624 1.819658 0.605770
H 5.647455 1.312873 2.298409
H 4.437611 2.574998 1.921878
H -0.365435 -0.183148 2.195732
H -3.232410 -0.268067 -1.047930
H 0.717209 -1.324446 -2.765759
H -0.178016 -2.783401 -2.211960
H -0.340605 1.237116 -2.001617
H 1.153382 1.994622 -1.450208
H -2.157798 0.604012 3.772621
H -5.033487 0.547400 0.513472
H -4.497593 0.981358 2.930353
H -0.394432 -2.505867 -4.720370
H -1.989975 -2.311234 -3.926497
H -1.088499 -0.870793 -4.487344


