%chk=000050995.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050995

0 1
 N    4.266200     -0.8856000     -0.6002000    
 C    2.095600     -0.5779000      0.1906000    
 C    2.935200      -1.218800       1.303600    
 C    2.886700     -0.8466000      -1.088600    
 C    4.213100      -1.691800      0.6192000    
 C   0.6979000      -1.096100      0.1190000    
 C  -0.3952000     -0.3204000      0.2574000    
 C    5.189300      -1.429100      -1.585500    
 C   -1.745400     -0.9370000      0.1693000    
 C  -0.1609000       1.133300      0.3865000    
 C   -2.797100     -0.3857000     -0.5957000    
 C  -0.6248000       1.999200     -0.6175000    
 C   -2.729800      0.8843000      -1.425600    
 C   -1.361500       1.447900      -1.811300    
 C   -1.998100      -2.100000      0.9304000    
 C   0.5116000       1.657900       1.500900    
 C   -4.055500      -1.028000     -0.5763000    
 C  -0.4016000       3.378000     -0.4945000    
 C   -3.247000      -2.720400      0.9245000    
 C   0.7269000       3.031300       1.611500    
 C   -4.277400      -2.184600      0.1680000    
 C   0.2719000       3.890100      0.6144000    
 H    2.184100      0.5001000      0.3254000    
 H    2.429300      -2.053900       1.801100    
 H    3.164000     -0.4700000       2.071900    
 H    2.595900      -1.801400      -1.547600    
 H    2.740800     -5.0700001E-02  -1.827500    
 H    5.091000      -1.535300       1.253900    
 H    4.132900      -2.763100      0.3939000    
 H   0.5953000      -2.167800     -4.1299999E-02
 H    5.205200     -0.7986000      -2.481100    
 H    4.926800      -2.449100      -1.888800    
 H    6.209100      -1.442000      -1.185900    
 H   -3.260200      0.6883000      -2.367800    
 H   -3.301800       1.656900     -0.8939000    
 H   -1.510800       2.248500      -2.547200    
 H  -0.7466000      0.6916000      -2.315400    
 H   -1.220000      -2.535500       1.555200    
 H   0.8537000       1.009800       2.304900    
 H   -4.883700     -0.6163000      -1.150800    
 H  -0.7541000       4.063900      -1.260800    
 H   -3.412600      -3.614800       1.517500    
 H    1.244500       3.431200       2.478400    
 H   -5.254900      -2.657200      0.1621000    
 H   0.4381000       4.959900      0.7016000    


%chk=000050995-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050995

0 1
N 4.409293 -1.126328 -0.693114
C 2.202223 -0.623318 0.017060
C 3.001168 -1.182436 1.257549
C 3.015651 -1.171048 -1.186332
C 4.360582 -1.678951 0.684962
C 0.753012 -1.041093 -0.005314
C -0.351276 -0.238573 0.123303
C 5.411592 -1.744320 -1.570712
C -1.727309 -0.848780 0.094320
C -0.229716 1.238245 0.361170
C -2.851060 -0.292785 -0.596351
C -0.763674 2.156719 -0.586820
C -2.847763 0.986730 -1.441466
C -1.479633 1.612656 -1.808105
C -1.917653 -2.057399 0.830481
C 0.410881 1.734048 1.524959
C -4.096943 -0.973584 -0.524924
C -0.639406 3.546686 -0.352787
C -3.159266 -2.717790 0.886300
C 0.526124 3.123506 1.753272
C -4.266364 -2.168591 0.200189
C 0.000600 4.034964 0.809657
H 2.287021 0.476115 0.013548
H 2.451508 -2.010150 1.740970
H 3.132821 -0.386759 2.010740
H 2.683196 -2.216038 -1.431261
H 2.898422 -0.554366 -2.095083
H 5.232036 -1.331949 1.269677
H 4.383074 -2.799834 0.675898
H 0.585249 -2.116070 -0.179368
H 5.400526 -1.251939 -2.559634
H 5.245711 -2.842088 -1.727237
H 6.419949 -1.612388 -1.138372
H -3.395367 0.769411 -2.380261
H -3.447093 1.755853 -0.911193
H -1.652764 2.425918 -2.537329
H -0.853297 0.849870 -2.310698
H -1.069274 -2.459411 1.395132
H 0.802189 1.021118 2.259824
H -4.953017 -0.547189 -1.064140
H -1.043469 4.251339 -1.090256
H -3.265893 -3.639282 1.469361
H 1.019783 3.490476 2.660038
H -5.244538 -2.661080 0.233061
H 0.088269 5.114384 0.977181


