%chk=000033849.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033849

0 1
 N   0.4153000     -0.4884000      0.4472000    
 N    3.981400      -1.461400      8.8200003E-02
 N   -1.911700      -1.336000     -0.8510000    
 C    1.540700      -1.258900     -2.5500000E-02
 C    2.831600     -0.6757000      0.5350000    
 C  -0.6358000      -1.174200       1.200900    
 C   0.3088000      0.8852000      0.1876000    
 C   -1.948300      -1.088300      0.4725000    
 C  -0.3667000       1.722200       1.082300    
 C   0.8776000       1.431400     -0.9680000    
 C    5.218000     -0.9261000      0.6565000    
 C    4.054300      -1.475700      -1.372400    
 C   -3.087100     -0.7686000       1.184000    
 C  -0.4719000       3.089100      0.8246000    
 C   0.7725000       2.798300      -1.225700    
 C   9.7599998E-02   3.627100     -0.3294000    
 C   -4.284600     -0.6974000      0.4811000    
 C   -3.094600      -1.257400      -1.500700    
 C   -4.297100     -0.9451000     -0.8872000    
 H    1.459500      -2.306900      0.2908000    
 H    1.507200      -1.281400      -1.118700    
 H    2.970600      0.3757000      0.2600000    
 H    2.777800     -0.7048000       1.631700    
 H  -0.6980000     -0.7814000       2.222400    
 H  -0.4042000      -2.240300       1.319100    
 H  -0.8055000       1.353600       2.004100    
 H    1.395200      0.8201000      -1.701300    
 H    6.073900      -1.548700      0.3725000    
 H    5.175400     -0.9364000       1.751400    
 H    5.414800      0.1011000      0.3283000    
 H    5.002600      -1.918200      -1.701900    
 H    3.990900     -0.4713000      -1.807000    
 H    3.282600      -2.112600      -1.815100    
 H   -3.067500     -0.5777000       2.251200    
 H  -0.9930000       3.735700       1.524600    
 H    1.212400       3.217100      -2.126100    
 H   1.5799999E-02   4.691300     -0.5300000    
 H   -5.206500     -0.4493000      0.9984000    
 H   -3.050300      -1.458600      -2.566000    
 H   -5.218800     -0.8950000      -1.455300    


%chk=000033849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033849

0 1
N 0.407149 0.062352 0.369689
N 3.722967 -1.718743 -0.321600
N -1.707740 -1.982875 -0.355196
C 1.390673 -0.770045 -0.351980
C 2.758499 -0.836066 0.375659
C -0.491691 -0.634793 1.303442
C 0.293849 1.443807 0.135003
C -1.815975 -1.098499 0.687172
C -0.776652 2.214639 0.690547
C 1.255832 2.140119 -0.665995
C 4.826323 -2.151557 0.560383
C 4.233287 -1.138550 -1.581475
C -3.072039 -0.660392 1.172967
C -0.866262 3.603347 0.465075
C 1.145698 3.526193 -0.890747
C 0.089291 4.279231 -0.327100
C -4.254385 -1.139087 0.563640
C -2.853856 -2.432425 -0.938275
C -4.147072 -2.041776 -0.517340
H 0.982969 -1.789427 -0.449532
H 1.504985 -0.384992 -1.381062
H 3.161018 0.199403 0.518610
H 2.587098 -1.251959 1.387389
H -0.691694 0.000173 2.186445
H 0.039278 -1.534338 1.666944
H -1.559001 1.730512 1.280365
H 2.103074 1.603170 -1.101986
H 5.464639 -2.878734 0.026263
H 4.414367 -2.652549 1.454363
H 5.479593 -1.309132 0.904923
H 4.907651 -1.862369 -2.073003
H 4.803096 -0.185829 -1.424818
H 3.403493 -0.932068 -2.278364
H -3.122017 0.038768 2.015179
H -1.702736 4.158782 0.906289
H 1.903262 4.024253 -1.507804
H 0.012337 5.357138 -0.502400
H -5.236216 -0.811426 0.921894
H -2.723326 -3.135938 -1.769009
H -5.034865 -2.436216 -1.021452


