%chk=000052887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052887

0 1
 N    3.081500     -0.6479000     -0.1405000    
 N    2.847600       1.517300      0.5414000    
 C    4.128300       1.414800     -0.2344000    
 C    4.349900     -8.8600002E-02 -0.5399000    
 C    2.347000      0.3072000      0.5103000    
 C    2.836700      -2.064900     -0.1981000    
 C    1.038100      2.4000001E-03   1.170500    
 C  -0.1236000      0.2111000      0.2042000    
 C    3.964200       2.230000      -1.519500    
 C    5.254700       1.986500      0.6249000    
 C   -1.485300     -3.4200002E-02  0.8615000    
 C   -2.627000      0.1533000     -0.1410000    
 C    3.530900      -2.742400      0.9759000    
 C    3.334600      -2.613600      -1.529000    
 C   -3.984600     -0.1234000      0.5080000    
 C   -5.171200      0.1362000     -0.4252000    
 C   -6.560600     -4.1400000E-02  0.1949000    
 C   -7.703000      0.2912000     -0.7649000    
 C   -9.058000      0.1064000     -9.8899998E-02
 H    5.168200     -0.5044000      5.7599999E-02
 H    4.569600     -0.2508000      -1.600000    
 H    1.761800      -2.269200     -0.1448000    
 H   0.9260000      0.6764000       2.028700    
 H    1.035000      -1.016000       1.569200    
 H  -9.0200000E-02   1.233000     -0.1948000    
 H  -6.0999999E-03 -0.4586000     -0.6571000    
 H    3.135900       1.848300      -2.127400    
 H    4.874600       2.197300      -2.127600    
 H    3.743300       3.279500      -1.294600    
 H    6.217700       1.923400      0.1072000    
 H    5.341700       1.444200       1.573300    
 H    5.068400       3.038100      0.8709000    
 H   -1.516000      -1.052600       1.267200    
 H   -1.615400      0.6552000       1.704400    
 H   -2.487800     -0.5198000     -0.9955000    
 H   -2.607000       1.178600     -0.5295000    
 H    3.314600      -3.816200      0.9814000    
 H    3.190100      -2.327900       1.930900    
 H    4.619100      -2.624500      0.9347000    
 H    3.043600      -3.664500      -1.636500    
 H    2.903000      -2.062400      -2.371800    
 H    4.425800      -2.573600      -1.617300    
 H   -4.093500      0.5087000       1.398100    
 H   -4.020700      -1.163900      0.8530000    
 H   -5.085600     -0.5263000      -1.295900    
 H   -5.092900       1.161300     -0.8095000    
 H   -6.637200      0.5990000       1.082400    
 H   -6.664600      -1.076500      0.5427000    
 H   -7.608500       1.327100      -1.110100    
 H   -7.643400     -0.3530000      -1.649600    
 H   -9.195400     -0.9285000      0.2307000    
 H   -9.861400      0.3486000     -0.8016000    
 H   -9.159700      0.7614000      0.7722000    


%chk=000052887-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052887

0 1
N 3.044438 -0.574313 -0.246999
N 3.091942 1.530176 0.723769
C 4.329841 1.435073 -0.146423
C 4.404743 -0.077304 -0.582859
C 2.439823 0.387768 0.593221
C 2.720721 -2.018766 -0.245368
C 1.085684 0.155832 1.221998
C -0.082562 0.264979 0.203676
C 4.110679 2.353539 -1.374287
C 5.566930 1.879075 0.656897
C -1.464682 0.089034 0.869991
C -2.638242 0.196891 -0.129754
C 3.435085 -2.788445 0.899534
C 3.026234 -2.648591 -1.622196
C -4.023867 0.024929 0.532684
C -5.197660 0.129251 -0.467275
C -6.583841 -0.041248 0.194173
C -7.757277 0.059746 -0.807307
C -9.138295 -0.112482 -0.138444
H 5.183670 -0.624490 -0.008886
H 4.623733 -0.187510 -1.660099
H 1.629257 -2.093285 -0.078271
H 0.962706 0.928266 2.000682
H 1.045039 -0.830550 1.726245
H -0.027254 1.255516 -0.288852
H 0.040187 -0.490655 -0.598671
H 3.247780 2.004616 -1.970556
H 5.006678 2.367952 -2.024163
H 3.899631 3.383597 -1.037942
H 6.485417 1.809961 0.043256
H 5.694185 1.250471 1.556307
H 5.444273 2.925016 0.988738
H -1.507195 -0.897102 1.379320
H -1.587154 0.854556 1.664177
H -2.514863 -0.568512 -0.924606
H -2.594983 1.182299 -0.638834
H 3.102441 -3.842554 0.923011
H 3.211699 -2.332486 1.881048
H 4.531670 -2.785249 0.759828
H 2.691895 -3.701599 -1.644281
H 2.508644 -2.097616 -2.427059
H 4.111057 -2.635897 -1.834714
H -4.148371 0.792137 1.325327
H -4.066023 -0.959473 1.044718
H -5.073280 -0.638639 -1.259633
H -5.155041 1.113184 -0.979945
H -6.711136 0.727974 0.984616
H -6.627467 -1.024298 0.708726
H -7.713620 1.042044 -1.320886
H -7.628590 -0.708901 -1.596816
H -9.218968 -1.099469 0.355349
H -9.959189 -0.035255 -0.875143
H -9.303320 0.662206 0.634181


