%chk=000069445.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069445

1 1
 N    2.406500      0.4375000      0.9335000    
 N   -3.857000      -1.079200      0.2339000    
 C    1.107200      7.3000002E-03  0.5888000    
 C   -1.380100     -0.1054000      0.8362000    
 C   -2.192300      0.5918000     -6.3000001E-02
 C   -3.469900      6.6600002E-02 -0.3579000    
 C    3.551800     -3.7000000E-02  0.2153000    
 C  -3.7999999E-02  0.3537000       1.209500    
 C    2.686800       1.376400       2.025500    
 C    3.371500     -0.9255000     -0.8723000    
 C   -1.822300      -1.283100       1.421700    
 C   0.9707000     -0.9029000     -0.5482000    
 C   -5.174700      -1.666300     -3.9299998E-02
 C   -3.084000      -1.752500       1.096300    
 C    2.021800      -1.347800      -1.244800    
 C   -1.791800       1.786500     -0.6818000    
 C   -4.318500      0.7279000      -1.251100    
 C    4.874800      0.3308000      0.5310000    
 C    4.467400      -1.411100      -1.601900    
 C    2.715500       2.808300       1.532600    
 C   -2.644700       2.441500      -1.572800    
 C   -3.903800       1.913600      -1.856300    
 C   -6.221400      -1.148300      0.9286000    
 C    5.963600     -0.1569000     -0.1994000    
 C    5.760500      -1.025800      -1.264300    
 H  -3.9799999E-02   1.034400       2.055500    
 H    1.908700       1.301700       2.794400    
 H    3.588400       1.125400       2.593600    
 H   -1.208900      -1.839100       2.124900    
 H  -6.9999998E-04  -1.255400     -0.8780000    
 H   -5.456100      -1.540000      -1.086900    
 H   -5.086400      -2.754600      8.0600001E-02
 H   -3.478800      -2.663200       1.532500    
 H    1.889200      -2.021500      -2.084200    
 H  -0.8208000       2.235400     -0.4879000    
 H   -5.317800      0.3913000      -1.499500    
 H    5.119100       1.020100       1.332300    
 H    4.322300      -2.092600      -2.436900    
 H    1.765000       3.084500       1.063700    
 H    3.507400       2.967900      0.7944000    
 H    2.890500       3.493700       2.367900    
 H   -2.326700       3.366600      -2.045300    
 H   -4.564500       2.431300      -2.545800    
 H   -5.941500      -1.364800       1.964700    
 H   -7.188300      -1.621000      0.7313000    
 H   -6.346300     -6.4900003E-02  0.8391000    
 H    6.971900      0.1495000      6.4900003E-02
 H    6.607000      -1.402000      -1.830600    


%chk=000069445-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000069445

1 1
N 2.452600 0.360482 0.513060
N -3.959354 -1.030742 -0.045535
C 1.282445 -0.148706 -0.072671
C -1.266017 0.027478 -0.055769
C -2.434473 0.896066 -0.291983
C -3.772696 0.353386 -0.265782
C 3.727409 -0.221024 0.294217
C 0.047182 0.566077 0.044569
C 2.353973 1.543576 1.422755
C 3.823162 -1.432883 -0.477712
C -1.562059 -1.364267 0.148970
C 1.405484 -1.354339 -0.859394
C -5.324455 -1.637304 0.040641
C -2.864293 -1.839432 0.155309
C 2.622400 -1.977552 -1.051119
C -2.294281 2.285993 -0.586105
C -4.894229 1.206200 -0.479121
C 4.918605 0.350107 0.827064
C 5.094673 -2.044911 -0.677918
C 2.598813 2.888313 0.707659
C -3.400911 3.114859 -0.803868
C -4.710787 2.569887 -0.739006
C -5.989276 -1.429115 1.415761
C 6.157219 -0.278680 0.617157
C 6.254793 -1.482224 -0.133074
H 0.118360 1.642929 0.208926
H 1.352140 1.518611 1.881824
H 3.074670 1.399613 2.243900
H -0.767310 -2.071915 0.389309
H 0.512087 -1.719089 -1.367900
H -5.945073 -1.227754 -0.773986
H -5.209741 -2.715134 -0.164248
H -3.078909 -2.893300 0.348379
H 2.692019 -2.873498 -1.677177
H -1.292929 2.716341 -0.672027
H -5.910246 0.808412 -0.444452
H 4.899782 1.282675 1.393821
H 5.146860 -2.966015 -1.268772
H 1.870999 3.058741 -0.104618
H 3.607880 2.936879 0.264575
H 2.503114 3.715880 1.432108
H -3.258146 4.174912 -1.033198
H -5.582116 3.211280 -0.903539
H -5.389950 -1.889956 2.219790
H -6.985349 -1.905228 1.417934
H -6.121487 -0.360762 1.655689
H 7.061494 0.174172 1.036202
H 7.228422 -1.956238 -0.286146


