%chk=000026088.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026088

0 1
 O   0.3053000      0.9902000     -0.5331000    
 N    3.892900      0.8879000      0.2598000    
 C  -0.9052000      0.6230000      0.1613000    
 C   -2.134300      0.9441000     -0.7509000    
 C  -0.9262000       1.523300       1.421300    
 C   -2.212700       2.452900      -1.065200    
 C   -1.013200       3.013700       1.082200    
 C   -2.205500       3.324800      0.1868000    
 C  -0.7728000     -0.8739000      0.4509000    
 C   -3.468500      0.4492000     -0.1715000    
 C  -0.7403000      -1.804100     -0.5871000    
 C  -0.6843000      -1.300800       1.775200    
 C    1.449900      0.7342000      0.2631000    
 C  -0.8342000      -1.369500      -2.013000    
 C  -0.6192000      -3.163800     -0.3002000    
 C    2.690700       1.118200     -0.5272000    
 C  -0.5631000      -2.660400       2.062100    
 C  -0.5306000      -3.591900       1.024400    
 C   0.1879000      -2.073000      -2.900700    
 C    5.086200       1.296800     -0.4852000    
 C    3.997200     -0.5210000      0.6470000    
 H   -2.097400      0.5238000      -1.749000    
 H  -0.1089000       1.379400       2.131700    
 H   -1.821700       1.281500       2.011600    
 H   -3.113200       2.672000      -1.651900    
 H   -1.360000       2.733200      -1.697300    
 H  -8.9000002E-02   3.343300      0.5931000    
 H   -1.098800       3.592500       2.009400    
 H   -3.135700       3.179800      0.7486000    
 H   -2.178500       4.381400     -0.1036000    
 H   -3.675300      0.8629000      0.8192000    
 H   -4.300200      0.7365000     -0.8248000    
 H   -3.489400     -0.6419000     -9.1600001E-02
 H    1.487900       1.340800       1.168800    
 H    1.511400     -0.3224000      0.5165000    
 H  -0.7111000     -0.6279000       2.624000    
 H   -1.843900      -1.540900      -2.401100    
 H  -0.5413000     -0.3369000      -2.178500    
 H  -0.6148000      -3.917200      -1.081600    
 H    2.709300      0.5637000      -1.475600    
 H    2.612400       2.178900     -0.8001000    
 H  -0.4968000      -2.995000       3.093300    
 H  -0.4421000      -4.651000       1.248500    
 H    1.202200      -1.987100      -2.494700    
 H   0.1878000      -1.621500      -3.899400    
 H  -4.0399998E-02  -3.134400      -3.037700    
 H    5.026500       2.357300     -0.7546000    
 H    5.219100      0.7139000      -1.403900    
 H    5.984500       1.181700      0.1314000    
 H    3.289700     -0.7806000       1.440700    
 H    4.984700     -0.7253000       1.079200    
 H    3.861700      -1.201600     -0.2016000    


%chk=000026088-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026088

0 1
O 0.252539 0.988799 -0.431284
N 3.982297 0.892244 -0.159411
C -0.997913 0.596932 0.299606
C -2.145023 1.045515 -0.680064
C -1.083582 1.436759 1.608673
C -2.069237 2.577256 -0.940823
C -0.991707 2.954663 1.330924
C -2.103923 3.412972 0.359825
C -1.028567 -0.936558 0.541520
C -3.549485 0.608928 -0.195110
C -0.771775 -1.896723 -0.496116
C -1.383187 -1.426629 1.829913
C 1.519612 0.699789 0.254285
C -0.344646 -1.553485 -1.928841
C -0.923225 -3.277791 -0.195308
C 2.630582 1.086500 -0.735140
C -1.514130 -2.802049 2.110752
C -1.292548 -3.741811 1.082491
C 0.981706 -2.236327 -2.356797
C 5.007640 1.695058 -0.857309
C 4.374406 -0.529729 -0.068683
H -1.959606 0.535004 -1.643539
H -0.288108 1.129172 2.314076
H -2.046785 1.231456 2.113481
H -2.907263 2.868160 -1.605369
H -1.128321 2.794042 -1.479482
H -0.004348 3.189872 0.889066
H -1.062401 3.506743 2.288518
H -3.091358 3.311163 0.854389
H -1.981572 4.486708 0.118970
H -3.838294 1.094653 0.754239
H -4.305028 0.889772 -0.951918
H -3.606436 -0.483448 -0.046382
H 1.628532 1.306721 1.175240
H 1.565263 -0.372652 0.531675
H -1.572789 -0.719272 2.641284
H -1.146659 -1.875028 -2.625167
H -0.219141 -0.467742 -2.041432
H -0.749082 -4.007555 -0.995661
H 2.487616 0.516113 -1.687668
H 2.505990 2.157472 -0.979631
H -1.793062 -3.131174 3.118081
H -1.403811 -4.815575 1.271086
H 1.814911 -1.923977 -1.701345
H 1.240008 -1.955139 -3.394603
H 0.917372 -3.338507 -2.314129
H 4.727426 2.762980 -0.830852
H 5.152437 1.400816 -1.928582
H 5.978858 1.584055 -0.341964
H 3.656992 -1.090955 0.553731
H 5.366864 -0.608481 0.409861
H 4.430664 -1.030912 -1.070076


