%chk=000068433.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068433

0 1
 O    1.450600      -2.820000      1.9600000E-02
 O    3.514900      -1.630300      0.2925000    
 O    1.375000       2.642800      0.3218000    
 O    3.698900       1.207700      0.4586000    
 O   -1.131600       2.609300     -3.3900000E-02
 N   -1.227800      -1.424500     -0.2850000    
 C   2.3499999E-02 -0.8084000     -8.7300003E-02
 C   9.2699997E-02  0.5978000      3.6400001E-02
 C    1.246200      -1.469200      2.4499999E-02
 C   -2.451400     -0.7411000     -9.8099999E-02
 C   -2.449100      0.6606000      3.3300001E-02
 C    2.442300     -0.7958000      0.2002000    
 C    1.314700       1.283400      0.2079000    
 C   -1.160300       1.385900      1.0000000E-03
 C    2.509900      0.5770000      0.2852000    
 C   -1.272500      -2.820600     -0.7256000    
 C   -3.698900      -1.385800     -1.1800000E-02
 C    2.877800      -2.911700      0.1681000    
 C   -3.635300       1.388900      0.2016000    
 C   -4.885000     -0.6641000      0.1612000    
 C   -4.853800      0.7217000      0.2612000    
 C    1.524000       3.385200     -0.8851000    
 C    4.695300       1.011300     -0.5463000    
 H   -2.169900      -3.050900      -1.310400    
 H   -1.231600      -3.498100      0.1339000    
 H  -0.4539000      -3.056000      -1.414900    
 H   -3.782900      -2.468300     -5.7900000E-02
 H    3.100700      -3.504400       1.062500    
 H    3.290400      -3.427700     -0.7065000    
 H   -3.625600       2.471200      0.2965000    
 H   -5.833200      -1.190900      0.2223000    
 H   -5.775400       1.279700      0.3958000    
 H    2.576800       3.395400      -1.183200    
 H    1.206200       4.414600     -0.6975000    
 H   0.9182000       2.972300      -1.698700    
 H    4.250800      0.8971000      -1.541100    
 H    5.311100      0.1416000     -0.3011000    
 H    5.340600       1.894400     -0.5577000    


%chk=000068433-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068433

0 1
O 1.474635 -2.867856 -0.552693
O 3.522067 -1.668067 -0.636045
O 1.362099 2.691054 0.057409
O 3.712675 1.369173 -0.487111
O -1.303506 2.679132 -0.569124
N -1.270889 -1.470314 -0.292392
C -0.033316 -0.794424 -0.343272
C 0.028805 0.655701 -0.297721
C 1.214759 -1.456157 -0.427885
C -2.458065 -0.768210 0.002312
C -2.462623 0.660567 0.014766
C 2.434667 -0.765883 -0.476276
C 1.294386 1.335441 -0.265685
C -1.237161 1.433312 -0.297565
C 2.527631 0.634537 -0.397362
C -1.384063 -2.922821 -0.557506
C -3.677754 -1.463565 0.261188
C 2.932999 -2.999239 -0.354015
C -3.669794 1.359049 0.276749
C -4.856867 -0.748634 0.531342
C -4.863674 0.671165 0.540789
C 1.557467 3.638093 -1.061891
C 4.831465 0.938591 0.380736
H -2.199657 -3.100398 -1.280517
H -1.601400 -3.483345 0.371285
H -0.450654 -3.307635 -0.979232
H -3.707457 -2.555277 0.272854
H 3.136557 -3.266814 0.702097
H 3.330509 -3.728960 -1.073595
H -3.623461 2.452719 0.254339
H -5.779921 -1.301589 0.739478
H -5.788309 1.218218 0.750210
H 2.476829 3.385594 -1.621026
H 1.660115 4.624692 -0.585819
H 0.663480 3.624883 -1.708275
H 5.162061 -0.082613 0.123168
H 4.531323 0.988000 1.444060
H 5.636444 1.661980 0.184225


