%chk=000047667.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047667

0 1
 O   -5.195200       2.230500     -0.8015000    
 O   -5.962600       1.126100       1.031000    
 N    1.588400      -2.213800      6.3299999E-02
 N   0.4247000      -1.496900      0.1560000    
 N  -0.5318000      -1.978600     -0.4893000    
 C    2.651300      -1.803600      0.9585000    
 C    3.201400     -0.4505000      0.5933000    
 C    2.638800      0.6888000       1.151100    
 C    4.262600     -0.3619000     -0.2965000    
 C    4.214600       2.044000     -8.0600001E-02
 C    3.148100       1.942400      0.8125000    
 C    4.771800      0.8917000     -0.6352000    
 C    1.932700      -2.993200      -1.113300    
 C    4.758800       3.384300     -0.4431000    
 C   -1.666400      -1.176800     -0.3319000    
 C   -3.931100      0.4219000     -1.8500000E-02
 C   -2.557000      -1.426100      0.7122000    
 C   -1.908200     -0.1283000      -1.219500    
 C   -3.689200     -0.6267000      0.8690000    
 C   -3.040600      0.6710000      -1.062800    
 C   -5.111200       1.255800      0.1452000    
 H    3.442000      -2.563500      0.9670000    
 H    2.244600      -1.783500       1.977800    
 H    1.808700      0.6222000       1.848800    
 H    4.703600      -1.253200     -0.7338000    
 H    2.706500       2.832600       1.252600    
 H    5.604000      0.9576000      -1.331000    
 H    2.693300      -3.734100     -0.8503000    
 H    2.321900      -2.322100      -1.883500    
 H    1.060300      -3.528900      -1.496300    
 H    5.160800       3.385300      -1.462000    
 H    3.977500       4.151000     -0.4066000    
 H    5.558300       3.664900      0.2497000    
 H   -2.377600      -2.241400       1.408400    
 H   -1.220100      7.2999999E-02  -2.036500    
 H   -4.370800     -0.8373000       1.689000    
 H   -3.190100       1.476400      -1.776300    
 H   -5.993800       2.787500     -0.6819000    


%chk=000047667-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047667

0 1
O -6.561893 1.172695 1.048959
O -7.160270 -0.144350 -0.767429
N 1.355026 -1.285557 0.358774
N 0.086159 -0.837575 0.524127
N -0.766751 -1.356832 -0.343523
C 2.355110 -0.741168 1.296178
C 3.438411 0.088375 0.611779
C 3.092433 1.166217 -0.242666
C 4.808159 -0.188308 0.830908
C 5.472563 1.677712 -0.634651
C 4.094532 1.944613 -0.856391
C 5.810988 0.596992 0.217090
C 1.721935 -2.248738 -0.693679
C 6.545618 2.539169 -1.277621
C -2.103139 -0.888358 -0.168853
C -4.831804 -0.111161 -0.025241
C -3.051366 -1.406221 -1.095676
C -2.538501 0.027128 0.836762
C -4.399830 -1.022683 -1.025976
C -3.887212 0.407771 0.903629
C -6.262310 0.265303 0.011915
H 2.822704 -1.573643 1.858068
H 1.780104 -0.130192 2.014518
H 2.034803 1.388373 -0.430073
H 5.096167 -1.022333 1.483871
H 3.808319 2.772636 -1.516652
H 6.867506 0.365171 0.398373
H 2.809964 -2.410712 -0.653383
H 1.436106 -1.859695 -1.686954
H 1.181453 -3.201557 -0.547252
H 7.519413 2.020301 -1.306249
H 6.275790 2.817249 -2.312146
H 6.688808 3.481225 -0.713588
H -2.698036 -2.107434 -1.858280
H -1.808978 0.422100 1.549412
H -5.137619 -1.414265 -1.733706
H -4.230952 1.107617 1.670775
H -7.534409 1.376731 1.009848


