%chk=000022676.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022676

0 1
 O    2.409300       2.266100     -7.9400003E-02
 O   -2.600000      -1.461400     -0.1096000    
 O   -3.720600      0.5113000      0.2798000    
 N    2.824800      -1.165100     -0.2756000    
 C    2.225600     -0.4318000      0.8390000    
 C    1.027000      0.3688000      0.4038000    
 C  -0.2274000     -0.2253000      0.4477000    
 C    1.181400       1.677300     -3.3799998E-02
 C   -1.347700      0.5027000      4.6900000E-02
 C    1.855800      -2.093800     -0.8561000    
 C    4.018700      -1.883500      0.1684000    
 C   6.1099999E-02   2.405400     -0.4346000    
 C   -1.203500       1.818100     -0.3942000    
 C   -2.666200     -0.1093000      8.9299999E-02
 C   -3.838300      -2.179600     -9.1499999E-02
 H    2.966000      0.2440000       1.287000    
 H    1.934300      -1.112900       1.651700    
 H  -0.3314000      -1.241300      0.8198000    
 H    1.072300      -1.577200      -1.418600    
 H    1.403200      -2.756600     -0.1093000    
 H    2.349000      -2.733600      -1.598800    
 H    4.500200      -2.390300     -0.6754000    
 H    3.790400      -2.632100      0.9359000    
 H    4.759100      -1.186000      0.5760000    
 H   0.1590000       3.430800     -0.7813000    
 H   -2.065700       2.398300     -0.7127000    
 H    2.313100       3.175700     -0.4102000    
 H   -4.321800      -2.072500      0.8840000    
 H   -3.621200      -3.237000     -0.2633000    
 H   -4.494200      -1.819800     -0.8897000    


%chk=000022676-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022676

0 1
O 2.452530 2.069782 0.160491
O -2.902084 -1.410754 0.273814
O -3.839162 0.572605 -0.515175
N 2.926875 -1.174264 -0.267590
C 2.142194 -0.651427 0.881069
C 0.963942 0.196850 0.434264
C -0.344024 -0.323066 0.380540
C 1.155869 1.554459 0.048495
C -1.442185 0.460217 -0.065785
C 2.210859 -2.206097 -1.038440
C 4.283674 -1.597038 0.127234
C 0.072075 2.351483 -0.399937
C -1.220657 1.803938 -0.460461
C -2.826261 -0.070340 -0.136546
C -4.255130 -2.007059 0.229118
H 2.825982 -0.030581 1.486873
H 1.766981 -1.480634 1.535677
H -0.524642 -1.357338 0.689765
H 1.250104 -1.805812 -1.404931
H 1.995666 -3.132007 -0.442994
H 2.815458 -2.496390 -1.916240
H 4.851306 -1.899803 -0.771137
H 4.295594 -2.458048 0.844814
H 4.813770 -0.749671 0.597059
H 0.241099 3.395837 -0.693367
H -2.072172 2.400210 -0.803393
H 2.487275 3.010240 -0.145696
H -4.941671 -1.452281 0.890937
H -4.118949 -3.040990 0.576751
H -4.652016 -1.982622 -0.800006


