%chk=000096116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096116

0 1
 O   -2.074300       2.720900      0.3618000    
 O   -1.895300       1.403900      -1.522600    
 N   0.1702000      4.3699998E-02 -0.2169000    
 C    1.472200     -0.3510000      0.3238000    
 C  -0.8731000     -0.8663000      0.2411000    
 C    2.574200      0.5443000     -0.2402000    
 C  -0.5578000      -2.296600     -0.1935000    
 C    3.947800      0.1351000      0.2957000    
 C   -1.651900      -3.266000      0.2587000    
 C  -0.1424000       1.421300      0.1673000    
 C    5.048900       1.050800     -0.2385000    
 C   -1.322500      -4.703500     -0.1433000    
 C   -1.455800       1.818900     -0.4588000    
 C    6.419300      0.6268000      0.2655000    
 C   -2.423400      -5.665100      0.2751000    
 C   -3.343700       3.200100     -9.3900003E-02
 C   -3.892300       4.182700      0.9187000    
 H    1.477900     -0.3193000       1.421000    
 H    1.755600      -1.360400      1.7500000E-02
 H  -0.9731000     -0.8294000       1.334400    
 H   -1.855000     -0.6173000     -0.1737000    
 H    2.437400       1.590700      4.7100000E-02
 H    2.576100      0.4984000      -1.336500    
 H  -0.4455000      -2.346900      -1.283700    
 H   0.3654000      -2.671300      0.2567000    
 H    3.942500      0.1704000       1.392100    
 H    4.160400     -0.9015000      7.0000002E-03
 H   -1.770400      -3.208700       1.347800    
 H   -2.609800      -2.970600     -0.1864000    
 H   0.5667000       2.154600     -0.2250000    
 H  -0.2000000       1.524000       1.257900    
 H    5.049000       1.033100      -1.334600    
 H    4.856500       2.085100      6.9399998E-02
 H   -1.186900      -4.764700      -1.229400    
 H  -0.3787000      -5.014000      0.3197000    
 H    6.657200     -0.3925000     -5.5100001E-02
 H    6.463400      0.6627000       1.358700    
 H    7.191400       1.295600     -0.1278000    
 H   -3.374700      -5.402600     -0.1985000    
 H   -2.564300      -5.651400       1.360600    
 H   -2.166900      -6.687000     -2.1400001E-02
 H   -4.034400       2.356500     -0.2029000    
 H   -3.220100       3.697000      -1.062700    
 H   -3.203400       5.023300       1.052200    
 H   -4.004200       3.705000       1.897600    
 H   -4.864500       4.569700      0.6012000    


%chk=000096116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096116

0 1
O -2.037058 2.954636 0.384110
O -2.394225 0.931505 -0.717837
N 0.040448 -0.104007 0.515365
C 1.465843 -0.260948 0.902456
C -0.813489 -1.261577 0.896163
C 2.441739 0.503306 -0.017856
C -0.671821 -2.447447 -0.079859
C 3.916951 0.327511 0.408561
C -1.524840 -3.665743 0.338888
C -0.512230 1.196231 0.908949
C 4.906315 1.079393 -0.511015
C -1.412869 -4.849474 -0.648991
C -1.730137 1.620463 0.085177
C 6.379377 0.902448 -0.083759
C -2.264806 -6.067516 -0.231216
C -3.232112 3.524844 -0.311019
C -3.358737 4.974055 0.147233
H 1.641126 0.045565 1.967103
H 1.708985 -1.338157 0.847345
H -0.593077 -1.602334 1.940691
H -1.866885 -0.931090 0.876965
H 2.196792 1.585379 -0.026038
H 2.296294 0.142907 -1.054361
H -0.972098 -2.095432 -1.084760
H 0.391297 -2.755734 -0.154621
H 4.047920 0.683037 1.452633
H 4.174665 -0.752654 0.414219
H -1.220232 -4.006584 1.351456
H -2.589128 -3.360161 0.420194
H 0.251994 1.982109 0.776531
H -0.815360 1.250145 1.987809
H 4.775874 0.723349 -1.553157
H 4.648205 2.158209 -0.517512
H -1.720658 -4.508543 -1.658209
H -0.349060 -5.152388 -0.734862
H 6.671083 -0.164798 -0.099492
H 6.542004 1.278566 0.944138
H 7.065290 1.449835 -0.756242
H -3.336007 -5.797729 -0.167099
H -1.955255 -6.446318 0.761491
H -2.168309 -6.897886 -0.954975
H -4.114505 2.916049 -0.041448
H -3.075199 3.435932 -1.401236
H -2.458153 5.552263 -0.121395
H -3.495429 5.031681 1.240701
H -4.232826 5.445604 -0.338016


