%chk=000079790.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079790

0 1
 O   -5.764000       1.972700     -9.3800001E-02
 O   -7.137500     -0.4401000     -0.2313000    
 N   0.6332000     -0.4904000      0.2661000    
 N    3.557500      0.5787000     -0.5364000    
 C   -1.663100     -0.3710000       1.137300    
 C  -0.7738000     -0.4839000     -0.1015000    
 C   -3.126000     -0.3858000      0.7716000    
 C    1.478200     -0.5992000     -0.9238000    
 C    2.932200     -0.6197000     -0.5871000    
 C   -3.773600      0.8111000      0.5061000    
 C   -3.799000      -1.596400      0.7067000    
 C    5.593800     -0.5834000      2.1100000E-02
 C    4.870100      0.5997000     -0.2366000    
 C   -5.126700      0.7973000      0.1674000    
 C    3.555100      -1.828500     -0.3507000    
 C   -5.816100     -0.4133000      9.8499998E-02
 C   -5.152300      -1.610100      0.3682000    
 C    4.907400      -1.803500     -4.2100001E-02
 C    6.963200     -0.5244000      0.3307000    
 C    5.552300       1.811600     -0.1737000    
 C    7.620500      0.7013000      0.3866000    
 C    6.913800       1.870600      0.1341000    
 C   -4.987500       3.165400     -1.5000000E-03
 C   -7.457700     -0.5587000      -1.616000    
 H   -1.431900      0.5486000       1.691400    
 H   -1.452900      -1.195500       1.831900    
 H  -0.9840000      0.3538000     -0.7790000    
 H   -1.021200      -1.407600     -0.6401000    
 H    1.288700      0.2495000      -1.594200    
 H    1.224500      -1.504400      -1.490500    
 H   0.8575000      0.3700000      0.7661000    
 H   -3.183700       1.718600      0.5734000    
 H   -3.290400      -2.533800      0.9130000    
 H    3.020700      -2.770900     -0.3989000    
 H   -5.683000      -2.556900      0.3166000    
 H    5.423500      -2.741600      0.1493000    
 H    7.525700      -1.433800      0.5301000    
 H    5.021400       2.741900     -0.3675000    
 H    8.678500      0.7429000      0.6262000    
 H    7.418700       2.831400      0.1757000    
 H   -4.622000       3.331600       1.017600    
 H   -5.652700       4.001800     -0.2401000    
 H   -4.180700       3.180400     -0.7423000    
 H   -7.069600      -1.499100      -2.020000    
 H   -7.052800      0.2880000      -2.179300    
 H   -8.546400     -0.5574000      -1.717300    


%chk=000079790-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079790

0 1
O -6.127030 1.591153 0.002112
O -7.235597 -0.968594 -0.558162
N 0.648570 -0.199600 0.259248
N 3.976374 0.713172 -0.901292
C -1.689507 -0.570360 1.032558
C -0.765975 -0.238177 -0.166829
C -3.153396 -0.657998 0.628363
C 1.616212 0.068300 -0.826822
C 3.057210 -0.121734 -0.371290
C -3.934320 0.520026 0.502079
C -3.757153 -1.903806 0.338820
C 5.736953 -0.494278 0.380371
C 5.308746 0.538191 -0.542256
C -5.287503 0.464748 0.096697
C 3.393112 -1.169026 0.555794
C -5.880927 -0.797748 -0.218954
C -5.102746 -1.966153 -0.085640
C 4.724289 -1.351602 0.925577
C 7.126966 -0.612325 0.703667
C 6.287020 1.417203 -1.107360
C 8.061455 0.257815 0.135736
C 7.637595 1.278543 -0.774884
C -5.570409 2.885479 0.400183
C -7.768710 -0.167139 -1.679090
H -1.553224 0.209823 1.809978
H -1.348091 -1.525735 1.470797
H -1.110034 0.717059 -0.636773
H -0.873020 -1.025872 -0.938091
H 1.535542 1.082985 -1.279153
H 1.405128 -0.655431 -1.641806
H 0.786986 0.443869 1.051922
H -3.476005 1.484706 0.746306
H -3.175578 -2.827115 0.440619
H 2.582347 -1.789377 0.947235
H -5.585560 -2.921772 -0.313320
H 5.009562 -2.145304 1.626606
H 7.447937 -1.395279 1.401833
H 5.937541 2.188613 -1.800616
H 9.124195 0.163349 0.384601
H 8.381713 1.953468 -1.212199
H -5.236747 2.870180 1.455822
H -6.397132 3.601690 0.283136
H -4.725656 3.181543 -0.252236
H -7.207602 -0.384130 -2.609215
H -7.722235 0.910505 -1.453057
H -8.813394 -0.496367 -1.789013


