%chk=000049789.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049789

0 1
 N   -3.128200       1.279500      -1.269600    
 C   -1.494800     -0.6248000      0.4095000    
 C   -2.412400      -1.876900      0.2495000    
 C   -2.254300      0.6273000      0.9276000    
 C  -0.2631000     -0.9056000       1.312400    
 C   -3.498300      0.9886000      0.1124000    
 C   0.9013000      2.9800000E-02   1.077300    
 C   -3.015900      -2.373300       1.565600    
 C   -1.695800      -3.034000     -0.4584000    
 C    1.896500     -0.2638000      0.1421000    
 C   0.9325000       1.192700       1.835800    
 C    2.960500      0.6532000     -3.0800000E-02
 C   -2.213700       2.420300      -1.327100    
 C   -4.320600       1.541700      -2.076300    
 C    1.870200      -1.438300     -0.6275000    
 C    1.978700       2.094700       1.665400    
 C    2.986900       1.828000      0.7385000    
 C    3.966800      0.3688000     -0.9682000    
 C    2.878600      -1.704900      -1.554000    
 C    3.924900     -0.8031000      -1.724200    
 H   -1.118100     -0.3900000     -0.5956000    
 H   -3.243600      -1.612600     -0.4138000    
 H   -1.590200       1.491500       1.001800    
 H   -2.579500      0.4431000       1.959900    
 H  -0.5699000     -0.8231000       2.365600    
 H   7.8400001E-02  -1.941400       1.246700    
 H   -3.983300       1.857900      0.5771000    
 H   -4.232500      0.1775000      0.1600000    
 H   -3.624300      -1.600900       2.044700    
 H   -2.241500      -2.687200       2.272600    
 H   -3.669100      -3.234600       1.387300    
 H  -0.9366000      -3.505100      0.1721000    
 H   -1.221500      -2.693200      -1.384300    
 H   -2.416100      -3.814500     -0.7289000    
 H   0.1656000       1.412000       2.573200    
 H   -1.216800       2.171100     -0.9513000    
 H   -2.595900       3.292800     -0.7847000    
 H   -2.051500       2.724000      -2.368700    
 H   -4.992400      0.6760000      -2.062400    
 H   -4.048500       1.707700      -3.124600    
 H   -4.876700       2.416600      -1.720400    
 H    1.079000      -2.174500     -0.5488000    
 H    2.012800       3.005400       2.256400    
 H    3.795400       2.546800      0.6225000    
 H    4.794000       1.059500      -1.118000    
 H    2.845800      -2.615700      -2.144800    
 H    4.709100      -1.010900      -2.446200    


%chk=000049789-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049789

0 1
N -2.778321 1.206466 -1.438276
C -1.573201 -0.763143 0.559021
C -2.548606 -1.987575 0.527584
C -2.283932 0.555642 0.964532
C -0.329588 -1.021584 1.476281
C -3.316920 1.074296 -0.062571
C 0.815679 -0.040239 1.267128
C -3.000082 -2.459675 1.932088
C -1.961708 -3.171842 -0.279529
C 1.697355 -0.134452 0.120871
C 1.029841 0.989952 2.195181
C 2.758413 0.843254 -0.044817
C -1.682460 2.191899 -1.544259
C -3.849077 1.470475 -2.420042
C 1.576783 -1.172084 -0.865826
C 2.073303 1.952710 2.032006
C 2.922244 1.884101 0.927874
C 3.635116 0.747429 -1.176614
C 2.448311 -1.242929 -1.955448
C 3.486704 -0.272887 -2.117296
H -1.218062 -0.622662 -0.481530
H -3.452422 -1.651312 -0.021147
H -1.519303 1.336222 1.139362
H -2.808993 0.424611 1.933348
H -0.652604 -0.966847 2.533629
H 0.027593 -2.056816 1.313633
H -3.722833 2.053175 0.310984
H -4.176823 0.378383 -0.113756
H -3.439513 -1.636942 2.526129
H -2.152033 -2.877283 2.506557
H -3.764896 -3.254270 1.847212
H -1.067067 -3.601724 0.211462
H -1.675745 -2.851666 -1.299099
H -2.702542 -3.987873 -0.375616
H 0.377417 1.055658 3.074391
H -0.829280 1.892485 -0.912527
H -1.993014 3.225591 -1.242399
H -1.325799 2.231973 -2.588948
H -4.606402 0.667165 -2.370895
H -3.425543 1.480519 -3.440580
H -4.373017 2.447832 -2.255990
H 0.791168 -1.926276 -0.760790
H 2.201731 2.741626 2.781431
H 3.726730 2.617006 0.792714
H 4.432047 1.492869 -1.288063
H 2.338401 -2.045878 -2.692973
H 4.162852 -0.337278 -2.977026


