%chk=000121337.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121337

0 1
 O   -2.195000       2.615800       1.135000    
 O   -2.796200      -1.126900      0.4469000    
 O    3.533100       1.168800      0.6070000    
 O   0.1112000      -2.822400     -0.6445000    
 O   -4.450100      -1.995000     -0.8987000    
 N   0.6262000       1.607700      0.1374000    
 N  -0.1985000       4.284700      -1.407800    
 N    2.711800      -3.478300     -0.2790000    
 N   -4.547300      -2.175000       1.391500    
 C  -0.3748000       3.720000     -6.7900002E-02
 C  -0.6898000       1.372200     -0.1351000    
 C   -1.477600       2.620200     -9.0499997E-02
 C   0.9197000       3.004600      0.3978000    
 C  -0.8405000      3.0900000E-02 -0.3728000    
 C    1.349000      0.4680000      9.2200004E-02
 C   0.4611000     -0.5437000     -0.2263000    
 C   -2.096100     -0.6654000     -0.7121000    
 C    2.749600      0.2694000      0.3184000    
 C   0.8866000      -1.915400     -0.3632000    
 C    3.223400      -1.159000      0.1789000    
 C    2.364700      -2.160600     -0.1344000    
 C    4.699500      -1.338500      0.4178000    
 C   -3.969800      -1.782000      0.2096000    
 H  -0.6259000       4.534700      0.6207000    
 H   -2.182100       2.729000     -0.9207000    
 H    1.818200       3.297700     -0.1522000    
 H    1.075300       3.109800       1.476100    
 H   -1.899000      -1.512500      -1.378700    
 H   -2.752600      2.4300000E-02  -1.259000    
 H   0.5302000       4.996900      -1.384000    
 H   -1.054800       4.757900      -1.693200    
 H   -2.882700       1.930600       1.072300    
 H    5.273300     -0.7378000     -0.2963000    
 H    5.038700      -2.371600      0.3137000    
 H    4.960000      -1.014400       1.431200    
 H    2.000100      -4.159300     -0.5144000    
 H    3.666600      -3.784300     -0.1535000    
 H   -5.428500      -2.677400       1.407800    
 H   -4.110600      -1.975000       2.285100    


%chk=000121337-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121337

0 1
O -2.475652 1.739776 1.626763
O -3.053723 -0.771482 0.482979
O 3.523130 1.390931 0.289801
O 0.737092 -3.339162 -0.508354
O -4.565703 -1.316740 -1.250815
N 0.545141 1.267834 0.206017
N -0.998792 3.982538 -0.812019
N 3.412529 -3.418650 -0.466108
N -5.004453 0.391094 0.309127
C -0.838792 3.198251 0.426801
C -0.765377 0.801828 0.096926
C -1.741647 1.915305 0.345847
C 0.643121 2.703014 0.537932
C -0.738538 -0.588292 -0.116110
C 1.431736 0.229031 0.051957
C 0.659002 -0.945864 -0.150987
C -1.936923 -1.491443 -0.195361
C 2.903739 0.279705 0.094717
C 1.327907 -2.219347 -0.329071
C 3.590281 -1.006511 -0.091966
C 2.852141 -2.176411 -0.288360
C 5.102186 -1.026823 -0.059601
C -4.262513 -0.619612 -0.255801
H -1.124039 3.738492 1.355583
H -2.476595 2.024332 -0.473923
H 1.311770 3.212753 -0.174788
H 1.061692 2.819091 1.552066
H -1.764583 -2.442714 0.334187
H -2.254287 -1.726346 -1.228802
H -0.309030 4.729117 -0.937481
H -1.954784 4.308378 -0.985690
H -2.573760 0.753789 1.744440
H 5.533067 -1.385012 -1.016458
H 5.491008 -1.677723 0.749572
H 5.475106 -0.005246 0.118206
H 2.768698 -4.202899 -0.600742
H 4.418099 -3.563376 -0.467697
H -5.933449 0.570833 -0.062733
H -4.588408 1.016261 1.005047


