%chk=000002957.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002957

1 1
 N   -3.573200     -0.6320000      0.3949000    
 N    5.236300     -0.2579000     -5.9000002E-03
 C   -2.731500      0.2663000     -0.1113000    
 C   -3.087200      -1.906900      0.9297000    
 C    1.123400      0.5935000     -1.0400000E-02
 C    3.855300      2.8100001E-02 -7.4000000E-03
 C   -1.288300     -3.0800000E-02 -0.1293000    
 C   -4.894400     -0.4127000      0.4378000    
 C   -3.181300       1.467400     -0.6169000    
 C  -0.3007000      0.8883000     -1.2000000E-02
 C    1.586900     -0.6107000     -0.5400000    
 C    2.025800       1.515100      0.5207000    
 C    2.952800     -0.8935000     -0.5384000    
 C    3.391800       1.232400      0.5223000    
 C   -3.060500      -2.941200     -0.1778000    
 C   -5.418700      0.7746000     -5.2999999E-02
 C   -4.549100       1.721900     -0.5852000    
 C    5.814700      -1.090600      -1.041600    
 C    6.098000      0.2888000       1.023700    
 H   -2.120400      -1.782800       1.425000    
 H   -3.775000      -2.228700       1.721900    
 H   -1.025700      -1.071400     -0.2668000    
 H   -5.525300      -1.187600      0.8573000    
 H   -2.521400       2.211400      -1.050800    
 H  -0.5559000       1.934100      0.1448000    
 H   0.9286000      -1.351000     -0.9844000    
 H    1.683300       2.459800      0.9366000    
 H    3.280500      -1.843100     -0.9521000    
 H    4.068300       1.976700      0.9327000    
 H   -4.066800      -3.114100     -0.5743000    
 H   -2.683800      -3.894400      0.2060000    
 H   -2.429100      -2.639800      -1.018100    
 H   -6.487000      0.9600000     -2.4700001E-02
 H   -4.938200       2.656300     -0.9788000    
 H    5.630500      -2.150200     -0.8357000    
 H    6.899900     -0.9510000      -1.101400    
 H    5.410600     -0.8410000      -2.029400    
 H    7.037300     -0.2715000       1.090900    
 H    5.627800      0.2333000       2.012100    
 H    6.351500       1.331300      0.8045000    


%chk=000002957-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002957

1 1
N -3.724912 -0.754683 0.306975
N 5.344078 -0.201340 -0.023735
C -2.727063 0.237542 0.206749
C -3.372490 -2.212852 0.361184
C 1.128867 0.478857 0.122968
C 3.983609 0.021473 0.024344
C -1.335427 -0.131814 0.165465
C -5.072506 -0.432067 0.325205
C -3.190364 1.595496 0.147951
C -0.277837 0.777313 0.174294
C 1.672567 -0.847697 0.037755
C 2.069269 1.562805 0.157341
C 3.045097 -1.075328 -0.010430
C 3.445863 1.354877 0.110649
C -3.115715 -2.809259 -1.036137
C -5.517996 0.881147 0.264588
C -4.544974 1.920661 0.176807
C 5.879580 -1.575133 -0.121418
C 6.289970 0.933139 0.025066
H -2.502590 -2.336848 1.026945
H -4.216942 -2.730772 0.845618
H -1.087537 -1.194726 0.124301
H -5.762173 -1.276147 0.395664
H -2.449568 2.392023 0.063903
H -0.510748 1.849458 0.234276
H 1.003382 -1.714830 0.007697
H 1.691081 2.590601 0.222242
H 3.409408 -2.103537 -0.074030
H 4.114110 2.218326 0.139081
H -4.013219 -2.727011 -1.673061
H -2.866643 -3.880105 -0.937722
H -2.281528 -2.308747 -1.556267
H -6.588669 1.092201 0.285830
H -4.860498 2.966702 0.125471
H 5.594720 -2.183581 0.757607
H 6.977287 -1.535140 -0.165507
H 5.520319 -2.083305 -1.035852
H 7.319931 0.550633 -0.012236
H 6.173880 1.513106 0.959806
H 6.146179 1.614962 -0.834185


