%chk=000094161.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094161

0 1
 O   6.7699999E-02  0.5616000      -1.652200    
 N   -1.941600      0.7041000      0.3108000    
 C  -0.5621000       1.086300      0.5957000    
 C   0.4447000      0.2618000     -0.2916000    
 C   -2.273800      0.9354000      -1.103700    
 C   -2.885800       1.364000       1.210200    
 C   -3.774900       1.121500      -1.367800    
 C   -4.277500      0.7361000       1.067400    
 C   -4.618400      0.3401000     -0.3713000    
 C  -0.4488000       2.605900      0.3902000    
 C   0.2870000      -1.253500     -6.1600000E-02
 C    1.928300      0.6363000     -0.1034000    
 C   2.1400001E-02  -1.691800       1.210000    
 C    2.750400      0.5945000      -1.199300    
 C   0.4193000      -2.090000      -1.139500    
 C    2.352100      0.9932000       1.150100    
 C  -0.1217000      -3.063600       1.418400    
 C    4.092800      0.9336000      -1.029300    
 C   0.2761000      -3.461800     -0.9311000    
 C    3.694500       1.332300       1.320000    
 C   5.5999998E-03  -3.948500      0.3478000    
 C    4.564700       1.302400      0.2303000    
 H  -0.3708000      0.9134000       1.659200    
 H   -2.031800      2.1800000E-02  -1.660200    
 H   -1.814900       1.796200      -1.592500    
 H   -2.986600       2.435100      0.9983000    
 H   -2.575800       1.265700       2.257700    
 H   -4.017100      0.8120000      -2.391100    
 H   -4.031000       2.186100      -1.289400    
 H   -5.024600       1.447400       1.440100    
 H   -4.354000     -0.1547000       1.703300    
 H   -5.685800      0.4982000     -0.5613000    
 H   -4.431600     -0.7329000     -0.5056000    
 H   0.5663000       2.941000      0.6307000    
 H   -1.079000       3.178800       1.077200    
 H  -0.6292000       2.971800     -0.6218000    
 H   0.4191000       1.436500      -1.890600    
 H  -5.2700002E-02  -1.046500       2.075600    
 H    2.415200      0.2955000      -2.186500    
 H   0.6400000      -1.738300      -2.141600    
 H    1.710200       1.005800       2.022300    
 H  -0.3246000      -3.443800       2.415300    
 H    4.771600      0.9063000      -1.876600    
 H   0.3780000      -4.151500      -1.764000    
 H    4.063700       1.614400       2.301700    
 H  -0.1035000      -5.016800      0.5104000    
 H    5.610300       1.564300      0.3631000    


%chk=000094161-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094161

0 1
O 0.471390 0.763558 -1.936397
N -1.909044 0.988560 0.117166
C -0.513828 1.452019 0.257451
C 0.517033 0.508123 -0.474796
C -2.502906 0.960280 -1.243744
C -2.845603 1.476771 1.151289
C -4.016692 0.616795 -1.170026
C -3.998831 0.451349 1.357721
C -4.298543 -0.307063 0.034066
C -0.291284 2.943711 -0.136453
C 0.155340 -0.978012 -0.287717
C 1.977964 0.734429 0.007803
C 0.038951 -1.518477 1.017209
C 3.032018 0.373193 -0.873624
C -0.028115 -1.830927 -1.401099
C 2.319551 1.223201 1.294698
C -0.264877 -2.882388 1.206248
C 4.382204 0.505461 -0.486795
C -0.332182 -3.199538 -1.212865
C 3.671824 1.358620 1.683905
C -0.453374 -3.731745 0.089624
C 4.710559 1.001822 0.796095
H -0.298203 1.360921 1.339756
H -1.970241 0.196195 -1.834877
H -2.374388 1.929816 -1.785373
H -3.276196 2.478167 0.894020
H -2.289239 1.613420 2.098091
H -4.323439 0.140764 -2.119936
H -4.620391 1.541009 -1.068190
H -4.901657 0.989712 1.709397
H -3.720996 -0.275665 2.143294
H -5.346682 -0.662162 0.023315
H -3.645954 -1.196540 -0.039051
H 0.762531 3.250479 -0.006200
H -0.914356 3.595919 0.501335
H -0.587646 3.132911 -1.184355
H 0.837265 1.669985 -2.094763
H 0.186418 -0.876234 1.893486
H 2.777765 -0.024106 -1.861627
H 0.068328 -1.414358 -2.407197
H 1.541631 1.508502 2.011076
H -0.352343 -3.284593 2.222165
H 5.177713 0.215351 -1.182694
H -0.472581 -3.848087 -2.085514
H 3.911370 1.742212 2.682272
H -0.687106 -4.792551 0.235753
H 5.758241 1.104889 1.099856


