%chk=000029842.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029842

0 1
 O    3.109000      0.1980000     -0.4430000    
 O   0.9813000      0.5879000     -0.9870000    
 O    1.480500     -0.3223000       1.103200    
 O   -5.080300      -1.719200     -0.3131000    
 N   -4.380000      0.4090000      0.4209000    
 C    5.475300     -8.1900001E-02 -0.2083000    
 C    6.606300     -0.5637000      0.6959000    
 C    4.115200     -0.2533000      0.4530000    
 C    7.959000     -0.4307000      1.5100000E-02
 C   -3.031100      0.4538000      6.7199998E-02
 C  -0.3693000      0.5423000     -0.6311000    
 C   -2.441500     -0.6362000     -0.5729000    
 C   -2.272300       1.588700      0.3537000    
 C   -1.093000     -0.5913000     -0.9267000    
 C  -0.9238000       1.633500     -9.9999997E-05
 C    1.821200      0.1085000      8.7000001E-03
 C   -5.293600     -0.6339000      0.2173000    
 C   -6.662900     -0.2891000      0.7471000    
 H    5.487600     -0.6323000      -1.157500    
 H    5.622400      0.9729000     -0.4722000    
 H    6.611700      1.5900001E-02   1.626300    
 H    6.444600      -1.613100      0.9682000    
 H    4.071300      0.3339000       1.377800    
 H    3.943900      -1.309900      0.6906000    
 H    8.754500     -0.7799000      0.6809000    
 H    8.166600      0.6123000     -0.2445000    
 H    7.997400      -1.027500     -0.9018000    
 H   -2.963400      -1.547900     -0.8277000    
 H   -2.718600       2.445600      0.8519000    
 H  -0.6331000      -1.438400      -1.425900    
 H  -0.3334000       2.516900      0.2217000    
 H   -4.735400       1.243000      0.8839000    
 H   -6.610000     -0.1227000       1.826700    
 H   -7.355500      -1.111400      0.5475000    
 H   -7.034500      0.6143000      0.2555000    


%chk=000029842-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029842

0 1
O 3.180774 -0.264993 -0.093550
O 0.982352 -0.370764 -0.272836
O 1.918093 1.004903 1.419809
O -5.503157 -0.987721 -1.317193
N -4.605160 0.304266 0.427041
C 5.601145 -0.411484 -0.181207
C 6.963527 0.066236 0.376412
C 4.433182 0.251122 0.545810
C 8.154726 -0.603599 -0.341397
C -3.203992 0.125867 0.236414
C -0.406172 -0.132374 -0.014539
C -2.656959 -0.675676 -0.803052
C -2.328970 0.787359 1.137030
C -1.260110 -0.797765 -0.918691
C -0.929102 0.668801 1.025421
C 2.009747 0.210645 0.457141
C -5.661638 -0.228249 -0.316232
C -7.051197 0.179034 0.171077
H 5.518007 -1.510410 -0.080377
H 5.536190 -0.180545 -1.261514
H 7.040746 1.167609 0.272209
H 7.017181 -0.150409 1.462701
H 4.447007 1.352477 0.446100
H 4.407973 -0.002836 1.621714
H 9.119349 -0.248468 0.064177
H 8.140119 -0.381736 -1.424835
H 8.121473 -1.702795 -0.223303
H -3.326444 -1.185264 -1.497304
H -2.740767 1.408871 1.942703
H -0.817079 -1.409398 -1.709878
H -0.267795 1.185067 1.721817
H -4.864712 0.904126 1.212967
H -7.630030 -0.732044 0.400468
H -7.577563 0.701649 -0.646317
H -7.044644 0.830300 1.062513


