%chk=000002178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002178

1 1
 N   -2.042100      0.3132000     -0.4266000    
 N    1.897400      3.1300001E-02   1.028400    
 N    2.537500       1.292600     -0.9227000    
 N  -0.3847000     -0.1247000       1.654400    
 C   -1.196500       1.498400     -0.5714000    
 C   0.2360000       1.135000     -0.2911000    
 C   -3.199800      0.3971000      0.2430000    
 C    4.224200      0.1827000      0.4015000    
 C    2.794300      0.5242000      0.1530000    
 C   0.6137000      0.3596000      0.7736000    
 C    4.642700      -1.116500     -0.3012000    
 C   -1.615000     -0.8299000     -0.9804000    
 C    1.234300       1.582200      -1.117500    
 C   -4.005100     -0.7243000      0.3829000    
 C   -3.616600       1.700100      0.8354000    
 C   -2.379100      -1.983100     -0.8720000    
 C   -3.586200      -1.925000     -0.1821000    
 C    3.844900      -2.312900      0.1927000    
 H   -1.461700       2.312000      0.1034000    
 H   -1.336500       1.842100      -1.603700    
 H    4.861400       1.002400      4.8000000E-02
 H    4.400500      9.6500002E-02   1.480800    
 H    4.519700      -1.020600      -1.386500    
 H    5.707700      -1.292100     -0.1101000    
 H  -0.6981000     -0.8294000      -1.558600    
 H    1.030600       2.202300      -1.984000    
 H   -4.947000     -0.6821000      0.9206000    
 H   -2.953500       1.989500       1.656200    
 H   -3.649400       2.487200      7.5300001E-02
 H   -4.627400       1.635400       1.254400    
 H   -2.047900      -2.909900      -1.328000    
 H   -4.201700      -2.814700     -8.7399997E-02
 H    3.876900      -2.390400       1.284100    
 H    2.799400      -2.266800     -0.1264000    
 H    4.266900      -3.235100     -0.2205000    
 H  -5.1399998E-02 -0.7303000       2.396100    
 H   -1.127500      0.5141000       1.909800    


%chk=000002178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002178

1 1
N -2.176649 0.220281 -0.089346
N 2.212922 0.238879 1.406723
N 2.441115 0.939600 -0.911051
N 0.195122 0.284089 2.551819
C -1.199332 1.404971 0.084665
C 0.246075 1.023946 0.181517
C -3.544082 0.472154 -0.125225
C 4.417376 0.111086 0.308552
C 2.948585 0.442597 0.276943
C 0.870742 0.529274 1.377564
C 4.797126 -1.012331 -0.701262
C -1.674815 -1.052800 -0.228314
C 1.114955 1.216288 -0.924448
C -4.417401 -0.622141 -0.305991
C -4.053256 1.882644 0.019736
C -2.525034 -2.149516 -0.409100
C -3.921110 -1.934931 -0.448134
C 4.157290 -2.375862 -0.366051
H -1.550575 1.958359 0.975423
H -1.357253 2.057340 -0.792774
H 4.980495 1.025987 0.041379
H 4.691027 -0.181915 1.335875
H 4.502751 -0.688852 -1.716846
H 5.898653 -1.109640 -0.698439
H -0.587515 -1.144114 -0.198207
H 0.718830 1.624968 -1.865083
H -5.491996 -0.427088 -0.337095
H -3.812275 2.314271 1.009255
H -3.630961 2.560086 -0.744640
H -5.147516 1.896678 -0.089908
H -2.092512 -3.146552 -0.516740
H -4.609890 -2.772733 -0.589263
H 4.443884 -2.714764 0.646588
H 3.051989 -2.326034 -0.403504
H 4.482118 -3.147912 -1.086206
H 0.755338 -0.034731 3.343881
H -0.773321 0.548518 2.711107


