%chk=000044139.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044139

0 1
 O  -0.1268000       1.415700     -7.3000002E-03
 O   -2.383200       1.288100      0.8335000    
 O   -4.888200       1.383900      0.2936000    
 O   -4.723800     -0.5824000     -0.9128000    
 N    1.322000      -1.736300      0.1877000    
 N    1.474600     -0.3362000      0.1841000    
 N   -2.067000     -0.7069000     -0.3519000    
 C  -2.2900000E-02  -2.008900     -6.6500001E-02
 C  -0.7432000     -0.8832000     -0.1453000    
 C   0.2071000      0.2433000      4.5600001E-02
 C    2.723100      0.3108000      8.0000004E-03
 C    2.069800      -2.513200       1.171500    
 C  -0.5212000      -3.411000     -0.1701000    
 C    2.853800       1.676200      0.2800000    
 C    3.834000     -0.4117000     -0.4383000    
 C    4.083000       2.312800      0.1075000    
 C    5.063300      0.2246000     -0.6106000    
 C   -2.793800      0.3629000      0.1492000    
 C    5.187700       1.586900     -0.3377000    
 C   -4.259700      0.3138000     -0.2339000    
 C   -6.288700       1.470800      1.3600000E-02
 H    3.057100      -2.102700       1.396100    
 H    2.215000      -3.536800      0.8098000    
 H    1.520300      -2.557600       2.119000    
 H   3.8100000E-02  -3.955700     -0.9378000    
 H   -1.580200      -3.456100     -0.4412000    
 H  -0.4020000      -3.936100      0.7830000    
 H   -2.588800      -1.492000     -0.7324000    
 H    2.026200       2.269600      0.6551000    
 H    3.771000      -1.464400     -0.6987000    
 H    4.182000       3.372100      0.3257000    
 H    5.921800     -0.3381000     -0.9655000    
 H    6.144600       2.082500     -0.4725000    
 H   -6.812000      0.6024000      0.4251000    
 H   -6.455500       1.546800      -1.065100    
 H   -6.676200       2.373800      0.4931000    


%chk=000044139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044139

0 1
O 0.247456 1.822276 -0.159958
O -3.396037 -1.835968 0.089567
O -5.558586 -0.184274 -0.333982
O -4.142178 1.665575 -0.386581
N 1.294985 -1.518316 0.474326
N 1.586619 -0.129344 0.285559
N -1.990555 0.066572 0.038431
C -0.115976 -1.665950 0.496490
C -0.690030 -0.423059 0.234626
C 0.371612 0.586538 0.104650
C 2.888297 0.305399 -0.114354
C 2.136802 -2.226736 1.469321
C -0.692127 -3.015082 0.816559
C 3.284990 1.633862 0.181535
C 3.759875 -0.565248 -0.818063
C 4.560590 2.079150 -0.223722
C 5.040010 -0.109962 -1.198924
C -3.200613 -0.591011 -0.023780
C 5.447445 1.211553 -0.903452
C -4.331197 0.427470 -0.265678
C -6.711675 0.722453 -0.570902
H 3.199303 -2.068665 1.232282
H 1.919162 -3.303117 1.403974
H 1.938821 -1.871043 2.499678
H -0.203554 -3.804937 0.216912
H -1.770302 -3.010247 0.598155
H -0.558296 -3.269266 1.886256
H -2.022593 1.090702 -0.114223
H 2.591813 2.301845 0.698035
H 3.420383 -1.569825 -1.091626
H 4.863305 3.108110 -0.001548
H 5.711178 -0.783844 -1.742662
H 6.439150 1.563502 -1.206749
H -6.582766 1.255419 -1.527708
H -6.789796 1.456597 0.248335
H -7.584216 0.056570 -0.597177


