%chk=000100004.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100004

0 1
 O   -2.176100      -2.614000      0.9263000    
 O   -2.616400      -2.642700      -1.346300    
 N  -0.3636000       2.685400     -0.6589000    
 N   0.8363000      -1.858300     -0.5452000    
 C  -1.4700000E-02   1.641600      0.3343000    
 C   0.6874000      0.5149000     -0.4863000    
 C   -1.231200       1.100400       1.113000    
 C   -2.151200      0.3944000      8.7700002E-02
 C   0.8400000       1.091200      -1.910500    
 C  -8.5800000E-02 -0.8313000     -0.5291000    
 C   0.6425000       2.579400      -1.717500    
 C   -2.462900       1.272600      -1.138600    
 C   -1.738800       2.626000      -1.171900    
 C   -1.417100     -0.8645000     -0.3441000    
 C    2.046200      3.4200002E-02 -7.1000000E-03
 C   -1.946400       2.135300       1.983400    
 C    2.076000      -1.373900     -0.1162000    
 C    3.159400      0.7434000      0.4051000    
 C   -2.142000      -2.137900     -0.3430000    
 C  -0.9827000       2.808400       2.938600    
 C    3.225900      -2.088100      0.1546000    
 C    4.318300      2.3399999E-02  0.7044000    
 C    4.352700      -1.377100      0.5758000    
 C   -2.855600      -3.862900       1.091500    
 H   0.7100000       2.077200       1.030800    
 H  -0.8584000      0.3429000       1.821600    
 H   -3.088300      0.1069000      0.5815000    
 H   7.0299998E-02  0.7028000      -2.589000    
 H    1.810600      0.8848000      -2.376300    
 H    1.574700       3.041500      -1.369300    
 H   0.3669000       3.091500      -2.645500    
 H   -3.542900       1.470500      -1.156200    
 H   -2.256800      0.7323000      -2.071500    
 H   -1.797900       3.031900      -2.190600    
 H   -2.329300       3.342400     -0.5903000    
 H   -2.716000       1.619400       2.571700    
 H   -2.475100       2.897300       1.409400    
 H   0.5660000      -2.825900     -0.4610000    
 H    3.148500       1.824900      0.4785000    
 H  -0.3839000       2.077300       3.491300    
 H  -0.3084000       3.496300       2.420000    
 H   -1.540700       3.401100       3.671400    
 H    3.258700      -3.167700      5.7500001E-02
 H    5.210900      0.5520000       1.028800    
 H    5.270500      -1.911900      0.8059000    
 H   -2.814300      -4.134900       2.149500    
 H   -2.358700      -4.644000      0.5082000    
 H   -3.904100      -3.765800      0.7941000    


%chk=000100004-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100004

0 1
O -3.228453 -2.336573 0.306519
O -1.193342 -3.421740 -0.081346
N -0.448999 2.639849 -0.677673
N 1.035665 -1.865704 -0.282639
C 0.034560 1.671288 0.355518
C 0.780019 0.483531 -0.430971
C -1.114110 1.119933 1.229649
C -2.055598 0.282320 0.292607
C 0.752505 0.972803 -1.941269
C 0.076713 -0.860429 -0.284329
C 0.511163 2.501496 -1.797923
C -2.529405 1.110507 -0.961400
C -1.892435 2.527843 -1.057229
C -1.287906 -0.993466 -0.067899
C 2.216422 0.110216 -0.061044
C -1.838863 2.170169 2.111971
C 2.324471 -1.313243 -0.079305
C 3.359075 0.892650 0.158153
C -1.847022 -2.328997 0.038144
C -0.910447 2.844061 3.147264
C 3.553277 -1.970510 0.108525
C 4.607991 0.246026 0.369297
C 4.698841 -1.165614 0.337603
C -3.836401 -3.677121 0.437688
H 0.797615 2.174125 0.980623
H -0.653205 0.400614 1.938995
H -2.945518 -0.026246 0.867413
H -0.088860 0.503210 -2.480385
H 1.688507 0.715458 -2.464996
H 1.460228 3.007777 -1.530481
H 0.122447 2.973237 -2.716245
H -3.628904 1.232925 -0.936301
H -2.305836 0.530116 -1.874522
H -1.990855 2.905751 -2.092418
H -2.472624 3.226075 -0.425988
H -2.657739 1.645827 2.646292
H -2.318312 2.953494 1.499628
H 0.734491 -2.844785 -0.189206
H 3.297085 1.986982 0.174171
H -0.389653 2.090876 3.769048
H -0.143432 3.468014 2.654227
H -1.486815 3.500424 3.824734
H 3.627890 -3.062688 0.089127
H 5.506150 0.843909 0.557342
H 5.669253 -1.649046 0.497273
H -4.902111 -3.484548 0.628933
H -3.377136 -4.231317 1.274167
H -3.697886 -4.256779 -0.490841


