%chk=000005626.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005626

0 1
 O   -4.344000      -1.459300      0.3181000    
 O   -4.401300       1.290300     -5.1500000E-02
 N    2.724900     -4.0800001E-02 -0.5819000    
 C    1.404100      2.0800000E-02  2.5699999E-02
 C   0.5928000      -1.271500     -0.1992000    
 C   0.5418000       1.174500     -0.5275000    
 C  -0.8069000     -0.7481000     -9.8899998E-02
 C  -0.8357000      0.6396000     -0.2853000    
 C    3.501300      -1.150500     -2.3399999E-02
 C    3.441900       1.222800     -0.3930000    
 C   -1.973700      -1.466700      9.8499998E-02
 C   -2.032100       1.336500     -0.2783000    
 C    4.871600      -1.227800     -0.6919000    
 C    3.578600       1.537200       1.094600    
 C   -3.183900     -0.7700000      0.1197000    
 C   -3.212900      0.6212000     -6.7400001E-02
 C    5.690500      -2.386400     -0.1442000    
 C    4.301600       2.856600       1.317700    
 C   -4.781000      -1.615000       1.666000    
 C   -5.077700       1.436500      -1.297800    
 H    1.456500      0.1220000       1.119400    
 H   0.7483000      -1.696300      -1.197700    
 H   0.7985000      -2.025700      0.5671000    
 H   0.7103000       2.112000      1.1000000E-02
 H   0.6838000       1.325800      -1.603900    
 H    2.999200      -2.098900     -0.2510000    
 H    3.593100      -1.120400       1.068000    
 H    4.408100       1.251100     -0.9042000    
 H    2.896100       2.037900     -0.8850000    
 H   -1.947500      -2.543500      0.2307000    
 H   -2.050500       2.410200     -0.4339000    
 H    5.480000     -0.3387000     -0.5065000    
 H    4.764100      -1.340600      -1.777400    
 H    2.615800       1.646300       1.600000    
 H    4.153100      0.7751000       1.629000    
 H    6.668600      -2.425800     -0.6342000    
 H    5.185500      -3.341500     -0.3206000    
 H    5.854400      -2.277800      0.9328000    
 H    4.392600       3.065400       2.388500    
 H    3.756300       3.686100      0.8559000    
 H    5.309700       2.828000      0.8916000    
 H   -4.041200      -2.175000       2.246800    
 H   -4.961500     -0.6395000       2.128300    
 H   -5.718800      -2.177300       1.659500    
 H   -5.319800      0.4573000      -1.722800    
 H   -4.466200       2.010600      -2.001200    
 H   -6.009500       1.980300      -1.120200    


%chk=000005626-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005626

0 1
O -4.414219 -1.612608 0.146635
O -4.503518 1.293123 -0.052161
N 2.828146 0.032666 -0.382528
C 1.459798 0.026144 0.198968
C 0.638529 -1.254186 -0.170561
C 0.565815 1.204622 -0.307149
C -0.801513 -0.769525 -0.105650
C -0.843624 0.647033 -0.183893
C 3.626262 -1.146539 0.050722
C 3.538229 1.332299 -0.230281
C -1.989973 -1.514061 0.008095
C -2.076403 1.325519 -0.179297
C 4.987256 -1.282543 -0.664470
C 3.921197 1.771873 1.212705
C -3.231517 -0.837588 0.038600
C -3.276036 0.582711 -0.082889
C 5.654241 -2.641031 -0.355720
C 4.638127 3.139384 1.211585
C -5.188836 -1.376105 1.386877
C -5.397118 1.016662 -1.200792
H 1.486049 0.082597 1.318971
H 0.904672 -1.564978 -1.202156
H 0.833384 -2.108030 0.502138
H 0.712847 2.139400 0.262795
H 0.811866 1.411543 -1.369445
H 3.033882 -2.050164 -0.182482
H 3.795277 -1.159873 1.159592
H 4.457580 1.292726 -0.844214
H 2.908138 2.119731 -0.683656
H -1.991266 -2.606075 0.090054
H -2.145877 2.415922 -0.253302
H 5.671910 -0.467389 -0.359459
H 4.824004 -1.176904 -1.754599
H 3.011798 1.832210 1.842983
H 4.578435 1.010772 1.677936
H 6.642089 -2.721710 -0.844323
H 5.030640 -3.481865 -0.713501
H 5.804842 -2.773872 0.732721
H 4.911663 3.454724 2.234986
H 3.992615 3.926905 0.777896
H 5.567228 3.101938 0.611154
H -4.592958 -1.675776 2.270278
H -5.478891 -0.313445 1.473944
H -6.080949 -2.015706 1.302565
H -5.643534 -0.059006 -1.259311
H -4.916844 1.343020 -2.143138
H -6.304543 1.612455 -1.017221


