%chk=000093978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093978

0 1
 O   0.8398000     -0.1697000      0.4244000    
 O   -1.002800      0.6097000     -0.7758000    
 N    5.480800      -1.102700     -0.2096000    
 C  -0.2893000      0.7355000      0.4717000    
 C    2.100400      0.3379000      0.2853000    
 C   -3.069700     -3.3399999E-02  0.3739000    
 C   -1.069900      0.3099000       1.687900    
 C   6.6299997E-02   2.201100      0.5930000    
 C    2.391600       1.702200      0.3357000    
 C   -2.333700      0.2967000     -0.7732000    
 C    4.446000     -0.1620000     -2.7700000E-02
 C   -2.354700     -4.9800001E-02   1.649900    
 C   -4.459900     -0.3461000      0.2603000    
 C    1.318400       2.660100      0.5345000    
 C    3.127100     -0.5931000      0.1080000    
 C   -5.060300     -0.3177000      -1.026900    
 C    3.717700       2.129900      0.2013000    
 C    4.741300       1.198900      1.8400000E-02
 C   -2.942800      0.3144000      -2.026100    
 C    6.855100     -0.6643000     -0.3496000    
 C    5.185200      -2.521300     -0.2450000    
 C   -4.293300      1.0700000E-02  -2.150800    
 C   -5.300600     -0.6862000       1.350500    
 C   -6.424000     -0.6180000      -1.183900    
 C    7.153600     -0.2175000      -1.765800    
 C    5.050000      -3.094900       1.150400    
 C   -6.655400     -0.9822000       1.178300    
 C   -7.217100     -0.9480000     -8.8900000E-02
 H  -0.5538000      0.2977000       2.645700    
 H  -0.7449000       2.915500      0.7153000    
 H   -2.849900     -0.3464000       2.564500    
 H    1.540200       3.717400      0.6144000    
 H    2.839700      -1.638900      8.3499998E-02
 H    3.966400       3.188000      0.2380000    
 H    5.743600       1.600400     -7.8599997E-02
 H   -2.368900      0.5668000      -2.914300    
 H    7.127400      0.1047000      0.3824000    
 H    7.529300      -1.499000     -0.1154000    
 H    4.312000      -2.754400     -0.8649000    
 H    6.007900      -3.051100     -0.7438000    
 H   -4.742000      3.4499999E-02  -3.142100    
 H   -4.917100     -0.7268000       2.366600    
 H   -6.884800     -0.5969000      -2.170000    
 H    8.205800      7.0799999E-02  -1.856600    
 H    6.545300      0.6366000      -2.076000    
 H    6.965600      -1.028800      -2.477700    
 H    5.967700      -2.936500       1.727500    
 H    4.227800      -2.644100       1.713300    
 H    4.868300      -4.173200       1.099100    
 H   -7.267400      -1.238200       2.038300    
 H   -8.269400      -1.177100     -0.2270000    


%chk=000093978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093978

0 1
O 0.628607 0.677115 1.233040
O -0.963111 1.832449 -0.145195
N 4.778311 -1.247028 -0.391820
C -0.346727 1.810101 1.234959
C 1.927585 0.895182 0.730764
C -2.788184 0.347013 0.578794
C -1.376455 1.453623 2.272207
C 0.320312 3.147011 1.400387
C 2.467024 2.211229 0.651193
C -2.005276 0.943417 -0.434392
C 4.023702 -0.119931 -0.048483
C -2.486085 0.721864 1.956048
C -3.873724 -0.531629 0.194771
C 1.636891 3.324966 1.073614
C 2.672409 -0.246434 0.404523
C -4.142090 -0.748960 -1.213224
C 3.811463 2.326428 0.211000
C 4.575927 1.205416 -0.140061
C -2.274692 0.738885 -1.819373
C 6.201404 -1.141523 -0.770030
C 4.188205 -2.600766 -0.400789
C -3.326014 -0.091759 -2.196178
C -4.702599 -1.207799 1.150213
C -5.215716 -1.612852 -1.604083
C 6.422000 -0.836423 -2.271125
C 4.230186 -3.304385 0.976525
C -5.745396 -2.044900 0.740347
C -6.009625 -2.251474 -0.648639
H -1.157502 1.761008 3.298789
H -0.319337 3.971686 1.726394
H -3.181818 0.440476 2.753039
H 2.090957 4.320973 1.143618
H 2.186303 -1.217147 0.523999
H 4.259589 3.325010 0.134510
H 5.597164 1.356785 -0.498118
H -1.640019 1.243666 -2.553386
H 6.694690 -0.372883 -0.146727
H 6.689734 -2.100944 -0.514706
H 3.147692 -2.546882 -0.770670
H 4.745263 -3.206601 -1.140423
H -3.540142 -0.258756 -3.258232
H -4.514530 -1.080920 2.221206
H -5.404183 -1.765138 -2.673759
H 7.501965 -0.772842 -2.501494
H 5.947686 0.119087 -2.554209
H 5.982380 -1.630933 -2.900958
H 5.271590 -3.412924 1.330289
H 3.673786 -2.725984 1.733944
H 3.781910 -4.313303 0.910908
H -6.363996 -2.551156 1.489877
H -6.828915 -2.910018 -0.956483


