%chk=000041106.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041106

0 1
 O    3.060300      -2.330800     -0.5827000    
 N  -0.3648000     -0.9295000     -0.2230000    
 C   0.7502000      -1.850000      3.2699998E-02
 C    1.982000      -1.414900     -0.7927000    
 C    2.500800     -3.9299998E-02 -0.4319000    
 C    1.023300      -1.854000       1.538000    
 C   -1.552000      -1.355300      0.4977000    
 C   -2.717900     -0.4349000      0.2516000    
 C    2.003000       1.066300      -1.099000    
 C    3.461000      8.2400002E-02  0.5572000    
 C   -2.914100      0.6571000       1.085500    
 C   -3.579500     -0.6912000     -0.8059000    
 C    2.480700       2.334000     -0.7666000    
 C    3.938600       1.350000      0.8896000    
 C    3.448500       2.475800      0.2277000    
 C   -3.994100       1.509900      0.8575000    
 C   -4.659300      0.1619000      -1.033800    
 C   -4.866500       1.262500     -0.2020000    
 H   0.4849000      -2.870600     -0.2734000    
 H    1.752900      -1.448300      -1.865600    
 H  -0.5587000     -0.9121000      -1.224400    
 H    1.990500      -2.318800       1.759400    
 H    1.033100     -0.8478000       1.972300    
 H   0.2887000      -2.455300       2.084700    
 H   -1.406100      -1.371200       1.583000    
 H   -1.836000      -2.376700      0.2108000    
 H    1.253500      0.9676000      -1.878700    
 H    3.856300     -0.7728000       1.096700    
 H    2.743500      -3.216000     -0.8309000    
 H   -2.239400      0.8613000       1.912100    
 H   -3.426100      -1.544300      -1.460700    
 H    2.099800       3.210500      -1.282700    
 H    4.690700       1.461200       1.665300    
 H    3.820200       3.462800      0.4869000    
 H   -4.155100       2.367300       1.504500    
 H   -5.338600     -3.0300001E-02  -1.859200    
 H   -5.707200       1.926800     -0.3798000    


%chk=000041106-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041106

0 1
O 3.036825 -2.227436 -0.946707
N -0.439237 -1.029384 -0.252856
C 0.781831 -1.823615 0.006527
C 1.955740 -1.233670 -0.853916
C 2.562975 0.053262 -0.308060
C 1.134717 -1.877795 1.503905
C -1.676944 -1.451835 0.443325
C -2.840307 -0.527265 0.103826
C 1.845330 1.272770 -0.402229
C 3.840842 0.051858 0.302722
C -2.676805 0.881251 0.168407
C -4.105500 -1.053843 -0.253840
C 2.392258 2.468076 0.115315
C 4.388656 1.248831 0.817873
C 3.666915 2.461201 0.728698
C -3.759633 1.742135 -0.113452
C -5.192874 -0.193299 -0.534395
C -5.022938 1.207974 -0.464480
H 0.653411 -2.885619 -0.350898
H 1.545135 -1.038263 -1.872937
H -0.612260 -0.923632 -1.263497
H 2.147228 -2.300927 1.627815
H 1.125190 -0.863140 1.937468
H 0.431358 -2.515253 2.068360
H -1.483063 -1.407527 1.531907
H -1.965894 -2.508452 0.215834
H 0.852572 1.281635 -0.864306
H 4.400389 -0.886192 0.349167
H 2.647154 -3.090262 -1.238396
H -1.693882 1.284624 0.436396
H -4.241953 -2.141137 -0.312774
H 1.826978 3.403850 0.035727
H 5.380954 1.234951 1.283513
H 4.093787 3.389597 1.125326
H -3.622256 2.828193 -0.057231
H -6.166316 -0.615112 -0.809450
H -5.863287 1.876752 -0.682485


