%chk=000009804.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009804

1 1
 O   0.8528000     -0.1555000     -0.1072000    
 O   1.1000000E-02   1.806600     -0.9680000    
 O   -2.472300       2.218900      8.1299998E-02
 O   -4.925400       1.031400      0.4826000    
 O   -5.168000      -1.722100      0.3275000    
 N    4.580200     -0.1916000      6.7699999E-02
 C    3.162600     -0.7270000      0.2083000    
 C    4.711100      0.5579000      -1.250300    
 C    5.565100      -1.351600      9.1600001E-02
 C    4.882100      0.7542000       1.221100    
 C    2.180800      0.3245000     -0.2696000    
 C    4.410000     -0.3871000      -2.393000    
 C    5.430300      -2.092600       1.403900    
 C    6.292400       1.282900       1.076000    
 C  -0.1409000      0.6898000     -0.4979000    
 C   -1.473600      7.3700003E-02 -0.2762000    
 C   -2.589800      0.8618000      4.1999999E-03
 C   -1.600500      -1.313200     -0.3532000    
 C   -3.833100      0.2628000      0.2079000    
 C   -2.843500      -1.912200     -0.1495000    
 C   -3.959900      -1.124300      0.1309000    
 C   -2.169200       2.769500       1.360500    
 C   -5.691600       1.487600     -0.6296000    
 C   -5.210600      -3.144500      0.2312000    
 H    2.968100     -0.9556000       1.262800    
 H    3.054800      -1.662200     -0.3531000    
 H    5.754100      0.8645000      -1.374700    
 H    4.109900       1.472100      -1.241400    
 H    6.581200      -1.003500     -0.1095000    
 H    5.293800      -2.052200     -0.7046000    
 H    4.715300      0.2523000       2.177900    
 H    4.182300       1.594300       1.167500    
 H    2.270700      0.5608000      -1.331300    
 H    2.272300       1.249200      0.3093000    
 H    4.338000      0.2035000      -3.314900    
 H    3.480200     -0.9537000      -2.325800    
 H    5.228300      -1.092500      -2.571000    
 H    6.076500      -2.978500       1.363700    
 H    4.426100      -2.471200       1.607200    
 H    5.782100      -1.518800       2.264800    
 H    6.485500       1.951000       1.925500    
 H    6.450300       1.904200      0.1920000    
 H    7.070800      0.5198000       1.134800    
 H  -0.7517000      -1.951900     -0.5834000    
 H   -2.867500      -2.993600     -0.2276000    
 H   -2.982600       2.570700       2.065300    
 H   -1.230300       2.362700       1.749300    
 H   -2.060600       3.851900       1.249900    
 H   -5.081700       2.116100      -1.286100    
 H   -6.097100      0.6406000      -1.191900    
 H   -6.524700       2.085200     -0.2495000    
 H   -6.246200      -3.448900      0.4157000    
 H   -4.597300      -3.620100       1.004100    
 H   -4.953300      -3.488700     -0.7764000    


%chk=000009804-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009804

1 1
O 0.983572 -0.468421 1.391039
O 0.652798 1.348303 -0.036971
O -1.641178 0.876262 -1.603494
O -4.378140 0.367588 -1.389843
O -5.366577 -1.038555 0.820107
N 4.585862 -0.038173 0.107110
C 3.116782 -0.491260 0.238387
C 4.704571 1.515507 0.157258
C 5.128984 -0.523664 -1.265902
C 5.400400 -0.645066 1.280288
C 2.375710 -0.002014 1.502880
C 3.795030 2.280557 -0.812191
C 5.208331 -2.043637 -1.451691
C 6.914892 -0.412649 1.229326
C 0.143467 0.368289 0.561387
C -1.250408 -0.089001 0.589351
C -2.160203 0.286950 -0.454869
C -1.730411 -0.862870 1.681370
C -3.533941 -0.068176 -0.364283
C -3.086056 -1.200906 1.786993
C -4.000390 -0.786410 0.782171
C -2.149952 2.213794 -1.996833
C -5.211887 -0.644704 -2.084958
C -5.917138 -1.747866 1.987872
H 3.115702 -1.592559 0.219103
H 2.583838 -0.117775 -0.649143
H 5.765618 1.736298 -0.045260
H 4.492051 1.803458 1.201006
H 6.124683 -0.063474 -1.378905
H 4.462755 -0.079363 -2.022961
H 5.169835 -1.723421 1.286719
H 4.979308 -0.203335 2.199007
H 2.390493 1.099200 1.584330
H 2.747962 -0.467749 2.428492
H 3.982916 3.357836 -0.653235
H 2.720612 2.107724 -0.630292
H 4.025460 2.075074 -1.871101
H 5.614694 -2.232417 -2.461194
H 4.224432 -2.538977 -1.409520
H 5.888874 -2.534219 -0.736099
H 7.357007 -0.897909 2.117494
H 7.192173 0.653290 1.278412
H 7.393090 -0.866297 0.345480
H -1.029495 -1.165844 2.462503
H -3.434609 -1.766161 2.654912
H -3.245657 2.193720 -2.107385
H -1.838646 2.958903 -1.242454
H -1.664105 2.427595 -2.959913
H -4.570904 -1.442294 -2.503576
H -5.960803 -1.068640 -1.398018
H -5.702241 -0.089634 -2.897943
H -6.998881 -1.796843 1.801600
H -5.721645 -1.183182 2.917695
H -5.501338 -2.769483 2.064540


