%chk=000017459.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017459

0 1
 O    4.725100       1.614300      2.1199999E-02
 O    5.210100     -0.5195000      0.2434000    
 O   -6.891600      0.7219000      0.2146000    
 N    4.381500      0.4105000      9.6900001E-02
 C   0.2889000     -0.5453000     -0.1473000    
 C   0.7004000      0.7850000     -0.2285000    
 C    1.233400      -1.559000      1.4700000E-02
 C    3.001000      8.8000000E-02  1.4400000E-02
 C    2.056400       1.101600     -0.1477000    
 C    2.589500      -1.242400      9.5600002E-02
 C   -1.125100     -0.8751000     -0.2305000    
 C   -2.148800     -1.8900000E-02 -5.4000001E-03
 C   -3.542100     -0.4010000     -9.3400002E-02
 C   -4.543300      0.4585000      0.1324000    
 C   -5.935400     -1.8700000E-02  1.9600000E-02
 H   3.8000001E-03   1.605100     -0.3754000    
 H   0.9309000      -2.601400      8.1400000E-02
 H    2.341000       2.148300     -0.2193000    
 H    3.296600      -2.058300      0.2222000    
 H   -1.352800      -1.908400     -0.4868000    
 H   -1.963900       1.013400      0.2780000    
 H   -3.753500      -1.434400     -0.3569000    
 H   -4.383000       1.497400      0.3967000    
 H   -6.068700      -1.079600     -0.2502000    


%chk=000017459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017459

0 1
O 4.870853 1.598079 0.018475
O 5.323519 -0.638868 -0.021585
O -7.080048 0.649957 -0.039057
N 4.504051 0.359630 -0.006020
C 0.283470 -0.485784 -0.033719
C 0.759907 0.861468 -0.009152
C 1.243993 -1.542379 -0.049152
C 3.052528 0.066335 -0.015876
C 2.133926 1.142400 0.000017
C 2.623604 -1.278705 -0.040667
C -1.139250 -0.831864 -0.043557
C -2.205487 0.041452 -0.032630
C -3.582872 -0.400568 -0.042998
C -4.672623 0.443842 -0.034060
C -6.045124 -0.076509 -0.045801
H 0.051189 1.695063 0.002631
H 0.894013 -2.580844 -0.068463
H 2.513617 2.167191 0.019086
H 3.367016 -2.079665 -0.052735
H -1.365877 -1.908283 -0.061235
H -2.036068 1.126350 -0.014647
H -3.762136 -1.487614 -0.059203
H -4.552958 1.534990 -0.018039
H -6.128841 -1.193675 -0.061913


