%chk=000085929.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085929

0 1
 O    4.497900       1.209500       1.160000    
 N   -2.230000     -0.1115000     -0.1367000    
 C   0.3026000      -1.374400      0.6372000    
 C  -0.5750000      -1.877500     -0.5502000    
 C   -1.310600     -0.6617000      -1.156100    
 C  -0.6604000     -0.7412000       1.680200    
 C    1.282700     -0.2851000      0.1734000    
 C  -0.2906000      0.3331000      -1.750900    
 C   -1.569400      0.3435000       1.087300    
 C   0.9711000      0.5269000     -0.9403000    
 C    1.011500      -2.575700       1.300700    
 C   0.1923000      -2.680900      -1.612700    
 C   -3.136800      0.9052000     -0.6602000    
 C    2.474900     -2.5000000E-02  0.8738000    
 C    1.863300       1.534800      -1.344100    
 C    3.348700      0.9845000      0.4656000    
 C    3.045500       1.761400     -0.6452000    
 C   -4.179800       1.231800      0.3116000    
 C   -5.037900       1.502500       1.106700    
 H   -1.336600      -2.566700     -0.1538000    
 H   -1.937600      -1.027200      -1.980900    
 H  -9.6799999E-02 -0.3123000       2.519200    
 H   -1.296800      -1.529000       2.107600    
 H  -0.7562000       1.306400      -1.938600    
 H   1.6100001E-02 -4.4799998E-02  -2.736000    
 H   -2.298900      0.5851000       1.868800    
 H  -0.9963000       1.262100      0.9115000    
 H    1.828200      -2.960100      0.6794000    
 H    1.436500      -2.312400       2.275800    
 H   0.3080000      -3.397500       1.478500    
 H  -0.4593000      -2.911300      -2.462700    
 H    1.069500      -2.152300      -1.995900    
 H   0.5349000      -3.637200      -1.204300    
 H   -2.603100       1.823500     -0.9303000    
 H   -3.623100      0.5363000      -1.571500    
 H    2.737000     -0.6012000       1.757000    
 H    1.634500       2.151900      -2.209900    
 H    3.717200       2.549100     -0.9752000    
 H    4.981300       1.942400      0.7413000    
 H   -5.798400       1.742400       1.812300    


%chk=000085929-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085929

0 1
O 4.591448 1.104751 1.173900
N -2.225278 -0.083201 -0.088203
C 0.322679 -1.377245 0.650106
C -0.574881 -1.877143 -0.531476
C -1.328766 -0.662995 -1.131613
C -0.637214 -0.732358 1.709411
C 1.305191 -0.297578 0.151478
C -0.309715 0.328289 -1.770193
C -1.517652 0.387765 1.128915
C 0.967859 0.533331 -0.960418
C 1.044151 -2.574878 1.319042
C 0.194052 -2.666659 -1.613982
C -3.177310 0.916720 -0.626609
C 2.523838 -0.067098 0.833474
C 1.865213 1.556749 -1.349825
C 3.401958 0.958947 0.429927
C 3.079310 1.785055 -0.671367
C -4.306400 1.194071 0.285458
C -5.257328 1.462685 1.022611
H -1.348466 -2.539016 -0.091909
H -1.996034 -1.031879 -1.936820
H -0.040062 -0.326972 2.548930
H -1.289765 -1.531752 2.112263
H -0.797976 1.306011 -1.956706
H -0.036909 -0.059580 -2.773491
H -2.281899 0.680951 1.872075
H -0.897381 1.294932 0.923651
H 1.854760 -2.975024 0.685574
H 1.482527 -2.293030 2.293781
H 0.319204 -3.388299 1.510363
H -0.462461 -2.882925 -2.478301
H 1.075518 -2.111351 -1.982526
H 0.550256 -3.634772 -1.220704
H -2.689746 1.897818 -0.865973
H -3.579904 0.523589 -1.581256
H 2.820532 -0.679788 1.689241
H 1.607258 2.192000 -2.206732
H 3.756827 2.586787 -0.992914
H 5.139088 1.845723 0.814088
H -6.086421 1.684767 1.669128


