%chk=000126521.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126521

0 1
 O    4.193500       2.606600     -0.4312000    
 O    2.395800      -2.296900       1.388500    
 O   -2.774700       3.441300      0.8127000    
 O    3.586200       1.416500       1.406500    
 O   -3.704300      -1.357000      -1.218000    
 O   -2.464100       2.330900      -1.145200    
 N    1.857100     -8.0799997E-02 -0.1170000    
 N   -1.870000      4.1800000E-02  0.2539000    
 N    2.904100      -3.495400     -0.5043000    
 N   -4.310700      -2.554700      0.6464000    
 C   0.4687000     -0.3740000     -0.4831000    
 C  -0.4610000      0.2967000      0.5394000    
 C   0.2302000      0.1056000      -1.914800    
 C    2.753400      -1.092300     -0.6731000    
 C    2.234700       1.251900     -0.5826000    
 C   -2.252900      -1.294600      0.7105000    
 C   -2.713800       1.056800      0.8857000    
 C    2.656000      -2.330800      0.1877000    
 C    3.395500       1.738000      0.2405000    
 C   -3.475100      -1.725000     -6.7800000E-02
 C   -2.648500       2.315300      6.5300003E-02
 H   0.2973000      -1.455500     -0.4523000    
 H  -0.2764000       1.376900      0.5330000    
 H  -0.2075000     -3.5300002E-02   1.556700    
 H  -0.7278000     -0.2954000      -2.269900    
 H   0.9746000     -0.2500000      -2.633400    
 H   0.1429000       1.193500      -2.008100    
 H    3.802600     -0.7777000     -0.6008000    
 H    2.564900      -1.327200      -1.725500    
 H    2.531300       1.258400      -1.639300    
 H    1.463700       2.014600     -0.4300000    
 H   -1.492700      -2.052100      0.4916000    
 H   -2.434800      -1.321100       1.791900    
 H   -2.402600       1.254700       1.918600    
 H   -3.770900      0.7661000      0.9000000    
 H    2.872900      -4.395400     -3.7000000E-02
 H    3.128000      -3.504800      -1.494200    
 H   -5.168700      -2.908200      0.2360000    
 H   -4.105000      -2.850000       1.595300    
 H    4.934800       2.927500      0.1254000    
 H   -2.710800       4.252800      0.2652000    


%chk=000126521-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126521

0 1
O 4.674742 1.598209 0.545544
O 0.424494 -3.288753 -0.467772
O -4.289633 3.054416 0.262085
O 3.971714 -0.522462 1.134830
O -4.036022 -1.619390 1.023291
O -2.871684 2.313475 -1.418304
N 1.671268 -0.221682 -0.615778
N -1.764142 0.347000 0.412031
N 2.187822 -2.807694 0.976978
N -2.404135 -3.036232 0.149866
C 0.292536 0.215883 -0.996528
C -0.442457 0.967095 0.162327
C 0.223088 1.009871 -2.324734
C 2.050350 -1.555183 -1.134493
C 2.707204 0.799965 -0.572611
C -1.688806 -0.916192 1.188600
C -2.854316 1.227907 0.832974
C 1.490023 -2.642879 -0.189799
C 3.801449 0.516647 0.454772
C -2.813105 -1.886579 0.781002
C -3.288655 2.207440 -0.245195
H -0.275406 -0.719113 -1.149040
H -0.607463 2.022609 -0.116701
H 0.205121 0.950497 1.072782
H -0.831069 1.258783 -2.537665
H 0.627545 0.421872 -3.170285
H 0.784384 1.962407 -2.264676
H 3.149950 -1.640632 -1.188748
H 1.637904 -1.750736 -2.145272
H 3.234621 0.986318 -1.542272
H 2.256057 1.770552 -0.296752
H -0.704092 -1.375085 1.009879
H -1.777047 -0.736572 2.287252
H -2.640025 1.823234 1.756224
H -3.730338 0.590195 1.071277
H 1.840036 -3.465572 1.674987
H 2.939030 -2.142952 1.209098
H -3.124330 -3.692187 -0.155389
H -1.417220 -3.219032 -0.088597
H 5.398450 1.399584 1.200161
H -4.591940 3.666668 -0.462152


