%chk=000178646.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178646

0 1
 O    4.269800      -1.207900      0.7809000    
 O    4.160300      -3.619200      -1.876800    
 O    7.073800      -1.304600      0.5209000    
 O    1.317300       4.276800     -0.2872000    
 N    2.207000     -9.8999999E-02  0.4167000    
 N   0.6067000       1.439600      8.6300001E-02
 N  -1.9300001E-02 -0.8682000      0.3872000    
 N    4.118900       1.400900      0.3160000    
 N   -2.019100      -2.103100      0.4399000    
 N   -2.207800      8.5100003E-02  0.1051000    
 N    3.551600       3.703700     -6.2100001E-02
 N    5.786700       2.995400      0.1850000    
 N   -4.781400       1.413700     -0.2560000    
 N   -7.092200     -0.1689000     -0.1699000    
 C    2.848100      -1.394100      0.6483000    
 C    2.617100      -2.404500     -0.4695000    
 C    3.926400      -2.386600      -1.226900    
 C    4.924700      -2.122000     -0.1126000    
 C    6.229800      -1.516900     -0.5970000    
 C    2.818200       1.100100      0.2780000    
 C   0.8789000      0.1802000      0.2899000    
 C    1.839400       2.029100      7.7699997E-02
 C   -1.370400     -0.9074000      0.3057000    
 C    2.179800       3.425600     -0.1080000    
 C    4.438300       2.745400      0.1366000    
 C   -3.363700      -1.864800      0.3188000    
 C   -3.457900     -0.4933000      0.1101000    
 C   -4.733900      7.8599997E-02 -5.6000002E-02
 C   -1.411600      -3.395800      0.6697000    
 C   -4.474100      -2.703500      0.3719000    
 C   -5.881300     -0.7316000     -9.3999999E-03
 C   -5.728800      -2.101600      0.2027000    
 C   -6.007500       1.942300     -0.4118000    
 C   -7.141200       1.165400     -0.3697000    
 C   -6.102800       3.411100     -0.6344000    
 H    2.461400      -1.756500       1.607700    
 H    1.771700      -2.195800      -1.131400    
 H    2.439200      -3.398500     -3.9200000E-02
 H    3.924300      -1.579400      -1.968100    
 H    5.139800      -3.034200      0.4592000    
 H    6.073700     -0.5514000      -1.088600    
 H    6.741300      -2.186700      -1.294500    
 H    4.180100      -4.321500      -1.204800    
 H   0.4120000      -1.766700      0.5888000    
 H    4.849700      0.7186000      0.4825000    
 H    6.605900     -0.7133000       1.135000    
 H  -0.8734000      -3.360300       1.620700    
 H   -2.172600      -4.176400      0.7153000    
 H  -0.7280000      -3.608900     -0.1564000    
 H   -4.392500      -3.771800      0.5353000    
 H   -6.613000      -2.736700      0.2401000    
 H    6.150800       3.934700      6.8599999E-02
 H    6.457700       2.250100      0.3361000    
 H   -8.134300       1.581300     -0.4944000    
 H   -6.577000       3.620500      -1.598500    
 H   -6.689900       3.880000      0.1617000    
 H   -5.110100       3.873200     -0.6388000    


%chk=000178646-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178646

0 1
O 3.423329 -1.239566 -1.047311
O 0.179042 -0.731956 -2.679495
O 4.456019 1.149560 -2.114382
O 3.750401 1.721740 4.691519
N 2.401736 -1.049018 1.138358
N 1.860025 -0.279616 3.241774
N 0.330944 -1.910516 2.336666
N 4.422514 0.409490 0.809054
N -2.127023 -1.708608 2.436616
N -1.028709 -0.962880 0.569904
N 4.873609 1.944319 2.631938
N 5.990327 2.131691 0.561796
N -2.437576 -0.082076 -1.956153
N -5.296080 0.101125 -1.781024
C 2.544176 -1.931465 -0.083386
C 1.257543 -2.138874 -0.873932
C 1.106256 -0.760320 -1.575688
C 2.562518 -0.487655 -2.033260
C 2.984716 0.986738 -2.026575
C 3.364831 -0.111476 1.528862
C 1.492294 -1.094103 2.244445
C 3.041219 0.344824 2.817573
C -0.891087 -1.510576 1.788900
C 3.884505 1.359965 3.489275
C 5.080411 1.507031 1.394443
C -3.120461 -1.278344 1.529919
C -2.404346 -0.826926 0.382960
C -3.103494 -0.395121 -0.779167
C -2.331135 -2.182991 3.809698
C -4.538487 -1.245485 1.608291
C -4.551416 -0.340105 -0.694548
C -5.236560 -0.757138 0.497151
C -3.179704 0.335715 -3.010080
C -4.614165 0.439263 -2.890975
C -2.479424 0.680586 -4.302433
H 3.073930 -2.851360 0.214694
H 0.374151 -2.383575 -0.277346
H 1.436557 -2.926211 -1.628806
H 0.806966 -0.026108 -0.802448
H 2.737106 -0.950477 -3.024389
H 2.713837 1.473053 -1.076235
H 2.476519 1.514940 -2.857190
H -0.756652 -0.511513 -2.320276
H 0.286042 -2.460800 3.197198
H 4.609310 0.091016 -0.151695
H 4.780924 0.733785 -2.952331
H -1.555788 -1.762180 4.473868
H -3.307874 -1.829309 4.175407
H -2.312775 -3.286652 3.871829
H -5.078658 -1.586669 2.497189
H -6.328206 -0.691947 0.493518
H 6.485622 2.928453 0.954725
H 5.920937 2.011904 -0.450524
H -5.203530 0.795369 -3.743682
H -2.950645 0.166506 -5.159587
H -2.541927 1.767558 -4.501123
H -1.415993 0.397286 -4.257133


