%chk=000022619.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022619

0 1
 N  -0.6210000     -0.7889000     -0.5063000    
 N    2.959000      0.1398000     -0.1684000    
 C   0.6872000     -0.3619000     -0.9419000    
 C    1.620100     -0.2654000      0.2584000    
 C  -0.9164000      -2.222500     -0.4786000    
 C   -1.594900      0.1351000     -0.1025000    
 C    3.865700      0.1954000      0.9776000    
 C    2.909500       1.435600     -0.8446000    
 C   -2.088500      -2.539100      -1.403200    
 C   -1.217300      -2.651400      0.9540000    
 C    3.929400      -1.143500       1.692700    
 C    4.283100       1.844200      -1.349200    
 C   -2.487800      0.6735000      -1.035600    
 C   -1.682600      0.5278000       1.237700    
 C   -3.456300       1.593300     -0.6336000    
 C   -2.651200       1.447600       1.639500    
 C   -3.538000       1.980300      0.7039000    
 H    1.092300      -1.058200      -1.687400    
 H   0.5536000      0.5943000      -1.455500    
 H    1.223900      0.4334000       1.005500    
 H    1.637700      -1.258500      0.7185000    
 H  -4.4399999E-02  -2.790300     -0.8262000    
 H    4.889100      0.4039000      0.6492000    
 H    3.580000      0.9797000       1.690000    
 H    2.299500       1.392400      -1.750000    
 H    2.498100       2.222900     -0.2008000    
 H   -2.228100      -3.623500      -1.475700    
 H   -3.033400      -2.118300      -1.044300    
 H   -1.905900      -2.160300      -2.414700    
 H  -0.4166000      -2.353400       1.639000    
 H   -1.304500      -3.742700       1.006600    
 H   -2.160800      -2.240700       1.328000    
 H    3.042200      -1.335300       2.304400    
 H    4.069400      -1.974200      0.9925000    
 H    4.784200      -1.150400       2.378800    
 H    4.942000       2.180400     -0.5428000    
 H    4.774200       1.031300      -1.895200    
 H    4.184400       2.688200      -2.041400    
 H   -2.431900      0.3885000      -2.083200    
 H   -1.000000      0.1266000       1.982200    
 H   -4.145600       2.009700      -1.362400    
 H   -2.714500       1.749600       2.680800    
 H   -4.291600       2.697000       1.016800    


%chk=000022619-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022619

0 1
N -0.755099 -0.782030 -0.093594
N 2.923708 0.291350 -0.240982
C 0.564579 -0.449112 -0.667216
C 1.619456 -0.026645 0.391435
C -0.913658 -2.197315 0.355370
C -1.753939 0.205464 0.009680
C 4.094072 -0.083878 0.597079
C 2.985941 1.694577 -0.736092
C -1.754413 -3.065621 -0.620529
C -1.357146 -2.340358 1.833686
C 4.355820 -1.602123 0.610762
C 3.986991 1.886964 -1.891088
C -1.434035 1.591823 -0.172075
C -3.125166 -0.107002 0.282047
C -2.425267 2.590335 -0.097026
C -4.103714 0.903315 0.364995
C -3.773475 2.264608 0.174939
H 0.962783 -1.331496 -1.202304
H 0.450304 0.343282 -1.429265
H 1.224740 0.825520 0.995865
H 1.757883 -0.868900 1.094480
H 0.114589 -2.608046 0.313986
H 4.984504 0.419392 0.178429
H 3.983219 0.291802 1.646132
H 1.977794 1.967906 -1.101011
H 3.221799 2.408041 0.094553
H -1.691419 -4.130617 -0.328188
H -2.819378 -2.780818 -0.633357
H -1.367755 -2.966242 -1.650777
H -0.691452 -1.753285 2.491300
H -1.297690 -3.402660 2.134760
H -2.388887 -1.996546 2.010025
H 3.503386 -2.163695 1.035342
H 4.524279 -1.965960 -0.417769
H 5.247065 -1.836715 1.222454
H 5.023126 1.656888 -1.583650
H 3.726887 1.222132 -2.732987
H 3.969619 2.934355 -2.246197
H -0.399842 1.899695 -0.351312
H -3.441886 -1.143668 0.405115
H -2.133362 3.637650 -0.241583
H -5.141961 0.615599 0.570453
H -4.539703 3.044035 0.236713


