%chk=000093522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093522

0 1
 O    2.136400      0.1921000     -4.5499999E-02
 O   -2.492000      -1.957800      0.2616000    
 O    5.456200       1.282600     -0.1829000    
 O    3.557000       2.355500     -0.4295000    
 N   -2.974800      0.2602000     -0.2396000    
 N    4.190000       1.280800     -0.2096000    
 C   -4.414300      0.1448000     -0.2639000    
 C   -5.087400       1.452400      0.1727000    
 C   -4.874000     -0.2615000      -1.660300    
 C   -4.657600       1.898900       1.564100    
 C   -2.133900     -0.8091000      2.3000000E-02
 C  -0.6985000     -0.4086000     -1.5500000E-02
 C    1.704000      -1.043100      0.1816000    
 C   0.2574000      -1.323300      0.2041000    
 C    2.671300      -1.949700      0.3764000    
 C    3.490500      9.1499999E-02  3.3000000E-03
 C    3.869600      -1.205600      0.2599000    
 H   -4.702900     -0.6505000      0.4348000    
 H   -6.176500       1.324300      0.1619000    
 H   -4.851800       2.253700     -0.5389000    
 H   -5.962200     -0.3777000      -1.695500    
 H   -4.586000      0.4872000      -2.406800    
 H   -4.424300      -1.214400      -1.960300    
 H   -2.573600       1.162700     -0.4789000    
 H   -3.591000       2.141200       1.599300    
 H   -5.211700       2.796300       1.857500    
 H   -4.859900       1.119200       2.305300    
 H  -0.4559000      0.6278000     -0.2266000    
 H  -1.5300000E-02  -2.355700      0.4111000    
 H    2.573400      -3.007200      0.5768000    
 H    4.881100      -1.575500      0.3527000    


%chk=000093522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093522

0 1
O 2.181437 0.177022 -0.114315
O -2.542415 -1.880905 0.326938
O 5.634313 1.122210 -0.277802
O 3.721704 2.341932 -0.673763
N -2.984041 0.326418 -0.298898
N 4.343242 1.254565 -0.351711
C -4.456367 0.174341 -0.317345
C -5.130783 1.469385 0.198010
C -4.946544 -0.219122 -1.732067
C -4.799896 1.801949 1.667955
C -2.126733 -0.717695 0.011113
C -0.676051 -0.366832 -0.045535
C 1.689286 -1.106264 0.231280
C 0.265902 -1.315270 0.246857
C 2.776375 -1.953988 0.502511
C 3.573548 0.083297 -0.045790
C 3.977001 -1.196594 0.326268
H -4.676385 -0.660474 0.374221
H -6.224743 1.348569 0.079749
H -4.844042 2.316733 -0.461212
H -6.036176 -0.404281 -1.722828
H -4.740129 0.584976 -2.463348
H -4.442580 -1.140466 -2.070344
H -2.591268 1.227721 -0.581902
H -3.711700 1.920631 1.820017
H -5.291969 2.739429 1.983841
H -5.142196 0.994731 2.341329
H -0.373642 0.651631 -0.321747
H -0.088113 -2.318491 0.516752
H 2.700631 -2.999409 0.794424
H 5.005632 -1.524248 0.449644


