%chk=000040427.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040427

0 1
 N   -3.611700      0.2821000     -0.2946000    
 C    1.325900      0.5865000      0.1779000    
 C    2.863200     -0.4934000      -1.523700    
 C    3.841400      0.7979000      0.4066000    
 C    2.729100      -1.426500      0.8134000    
 C    1.515600      0.2189000      -1.312900    
 C    2.491200       1.506800      0.6121000    
 C    1.382000     -0.7114000       1.018000    
 C    4.003100      0.4381000      -1.079600    
 C    2.896200      -1.775200     -0.6748000    
 C    3.869600     -0.4903000       1.245900    
 C  -1.5500000E-02   1.295000      0.3838000    
 C   -1.176600      0.4183000     -7.4299999E-02
 C   -2.513100       1.118800      0.1649000    
 C   -4.914100      0.9236000     -0.1171000    
 C   -3.703700     -0.9754000      0.4469000    
 C   -5.888600     -0.2330000     -0.2833000    
 C   -5.094100      -1.480600      9.0700001E-02
 H    2.985900     -0.7479000      -2.582400    
 H    4.657300       1.459800      0.7177000    
 H    2.756600      -2.343000       1.413400    
 H    1.469500       1.119700      -1.938000    
 H   0.7365000     -0.4614000      -1.671300    
 H    2.379800       1.787900       1.667300    
 H    2.474000       2.439800      3.4100000E-02
 H   0.5989000      -1.421800      0.7360000    
 H    1.240500     -0.4841000       2.082400    
 H    4.000200       1.350500      -1.688500    
 H    4.971400     -5.0799999E-02  -1.243300    
 H    2.097700      -2.456900     -0.9927000    
 H    3.845200      -2.302800     -0.8310000    
 H    3.770700     -0.2462000       2.310700    
 H    4.835500     -0.9956000       1.123600    
 H  -0.1433000       1.553600       1.442800    
 H  -2.9899999E-02   2.240000     -0.1743000    
 H   -1.110700      0.1900000      -1.142100    
 H   -1.169100     -0.5222000      0.4776000    
 H   -2.619800       1.370000       1.228300    
 H   -2.521400       2.063800     -0.3927000    
 H   -5.091900       1.709900     -0.8575000    
 H   -5.021200       1.356600      0.8858000    
 H   -3.632300     -0.8196000       1.530900    
 H   -2.952200      -1.710700      0.1439000    
 H   -6.229600     -0.3085000      -1.322600    
 H   -6.771600     -0.1088000      0.3516000    
 H   -5.552700      -2.016700      0.9279000    
 H   -5.054300      -2.164600     -0.7653000    


%chk=000040427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040427

0 1
N -3.760286 0.229462 -0.218664
C 1.379514 0.455402 0.139402
C 3.077455 -0.425575 -1.563022
C 3.892031 0.891299 0.443150
C 2.976037 -1.450296 0.756532
C 1.649840 0.153505 -1.365869
C 2.463302 1.464560 0.632600
C 1.548290 -0.868240 0.946238
C 4.130710 0.599651 -1.063211
C 3.215793 -1.742458 -0.750136
C 4.028686 -0.424833 1.255922
C -0.021787 1.093457 0.354633
C -1.246558 0.236960 -0.040355
C -2.567898 0.998077 0.192552
C -5.027330 1.003991 -0.180135
C -4.032145 -0.990999 0.588884
C -6.105457 -0.077480 -0.412949
C -5.511176 -1.357497 0.264679
H 3.243153 -0.634958 -2.638858
H 4.636529 1.629962 0.802141
H 3.068195 -2.390548 1.336383
H 1.533660 1.086381 -1.956354
H 0.902564 -0.568755 -1.750250
H 2.289252 1.697819 1.703755
H 2.361666 2.417046 0.071869
H 0.800922 -1.615295 0.612084
H 1.355989 -0.674163 2.022387
H 4.052835 1.539026 -1.647422
H 5.153503 0.200334 -1.217677
H 2.482739 -2.491494 -1.112625
H 4.226258 -2.174969 -0.896519
H 3.878192 -0.221345 2.335732
H 5.050068 -0.840992 1.140702
H -0.114696 1.372381 1.427005
H -0.056016 2.046701 -0.216902
H -1.199450 -0.051302 -1.107482
H -1.253552 -0.699933 0.548948
H -2.631102 1.297306 1.275247
H -2.549793 1.935731 -0.398157
H -5.025244 1.792309 -0.954317
H -5.183327 1.498786 0.815043
H -3.917889 -0.780441 1.684922
H -3.326736 -1.799299 0.329450
H -6.236536 -0.245721 -1.495687
H -7.083214 0.213721 0.009195
H -6.057552 -1.624286 1.186545
H -5.569839 -2.222784 -0.417212


