%chk=000037918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037918

0 1
 O    3.455500       3.255500      5.9000002E-03
 N   -2.502100     -0.5177000      0.1727000    
 N    3.079400      -2.214200      1.6799999E-02
 C   -4.083200       1.091700      -1.009700    
 C   -4.870000     -0.4611000       1.109200    
 C   -4.842800       1.870700      6.8099998E-02
 C   -4.886000     -0.1477000      -1.435200    
 C   -5.282500       1.007500       1.243500    
 C   -5.324600      -1.018600     -0.2487000    
 C   -2.648000      0.7412000     -0.5590000    
 C   -3.356900     -0.6556000       1.352400    
 C   -1.100500     -0.7595000      0.5160000    
 C  -0.2393000     -0.8882000     -0.7429000    
 C    1.200100      -1.160200     -0.4181000    
 C    2.192700     -0.1801000     -0.2144000    
 C    1.754300      -2.396800     -0.2748000    
 C    3.375300     -0.8703000      6.0400002E-02
 C    2.218200       1.228600     -0.2328000    
 C    1.178700      -3.751200     -0.3810000    
 C    4.586800     -0.2196000      0.3194000    
 C    3.423000       1.892900      2.4700001E-02
 C    4.587800       1.178000      0.2963000    
 C    5.852500     -0.9537000      0.6125000    
 C    2.231600       3.928300     -0.2814000    
 H   -3.991100       1.751900      -1.883000    
 H   -5.391600      -1.020300       1.897700    
 H   -5.734500       2.324200     -0.3844000    
 H   -4.237200       2.710800      0.4295000    
 H   -4.307800     -0.7495000      -2.147100    
 H   -5.782900      0.1778000      -1.977900    
 H   -6.376000       1.062000       1.326300    
 H   -4.895900       1.428700       2.179500    
 H   -4.957300      -2.043600     -0.3812000    
 H   -6.420100      -1.090100     -0.2560000    
 H   -2.095400      0.6795000      -1.501200    
 H   -2.217800       1.579100      4.9000001E-03
 H   -3.021700      1.2200000E-02   2.156900    
 H   -3.233500      -1.678900       1.732400    
 H  -0.7129000      3.6800001E-02   1.165800    
 H   -1.016100      -1.695000       1.084800    
 H  -0.2498000      2.2100000E-02  -1.350000    
 H  -0.6302000      -1.689600      -1.383400    
 H    3.743000      -2.959400      0.1761000    
 H    1.284600       1.734100     -0.4470000    
 H   0.8896000      -3.962500      -1.415500    
 H    1.888500      -4.523200     -6.5700002E-02
 H   0.2877000      -3.842900      0.2485000    
 H    5.511500       1.719300      0.4922000    
 H    6.238800     -0.6601000       1.594300    
 H    5.717500      -2.038800      0.6221000    
 H    6.606600     -0.7195000     -0.1462000    
 H    1.871600       3.698100      -1.290000    
 H    2.440400       5.002900     -0.2561000    
 H    1.474200       3.733400      0.4856000    


%chk=000037918-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037918

0 1
O 3.616661 3.262850 0.077722
N -2.515461 -0.314409 0.221446
N 3.143673 -2.295535 -0.048037
C -4.224781 1.131626 -0.997633
C -4.890425 -0.491383 1.135993
C -5.197244 1.819062 -0.005650
C -4.804259 -0.235748 -1.446361
C -5.479483 0.942062 1.253286
C -5.257403 -1.118906 -0.234758
C -2.776951 0.985493 -0.435892
C -3.360665 -0.557982 1.413076
C -1.076098 -0.551997 0.492786
C -0.261865 -0.900466 -0.784430
C 1.186835 -1.199770 -0.483758
C 2.228691 -0.215674 -0.239816
C 1.780414 -2.464482 -0.357483
C 3.443138 -0.927778 0.029353
C 2.232480 1.208020 -0.234976
C 1.190981 -3.839536 -0.499026
C 4.673069 -0.278330 0.307301
C 3.451236 1.859025 0.038076
C 4.649515 1.128297 0.306286
C 5.939778 -1.065197 0.587653
C 2.435676 4.076437 -0.195078
H -4.149885 1.787533 -1.889828
H -5.363594 -1.099404 1.935395
H -6.145556 2.021207 -0.541724
H -4.789548 2.805481 0.289603
H -4.039223 -0.773474 -2.034377
H -5.666006 -0.048070 -2.117514
H -6.572922 0.860812 1.410129
H -5.071738 1.422211 2.164247
H -4.799022 -2.122337 -0.311034
H -6.356105 -1.263373 -0.264211
H -2.066154 1.072735 -1.278093
H -2.564860 1.846964 0.254043
H -3.122367 0.153046 2.249685
H -3.111018 -1.573934 1.777167
H -0.596096 0.317973 1.009067
H -0.997646 -1.408398 1.189091
H -0.319330 -0.059745 -1.503601
H -0.757213 -1.760382 -1.272201
H 3.807846 -3.054477 0.085925
H 1.312314 1.762757 -0.440151
H 1.724629 -4.442384 -1.259785
H 1.221486 -4.404884 0.453260
H 0.135502 -3.772725 -0.809180
H 5.559553 1.701167 0.512409
H 6.790191 -0.391405 0.783861
H 5.824521 -1.721966 1.472805
H 6.217298 -1.710363 -0.269653
H 2.035567 3.883388 -1.210860
H 2.777528 5.120101 -0.124680
H 1.636535 3.895667 0.551922


