%chk=000019728.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019728

0 1
 O  -0.2416000       1.090600      0.6571000    
 O    1.650800       1.676600     -0.8596000    
 O    4.363900       2.227700     -0.2418000    
 O    5.906800      0.5614000      0.5622000    
 O   -4.406800       1.930300      7.1999999E-03
 O   -1.659800       2.890800      0.3626000    
 O   -5.874400     -0.4304000     -0.1062000    
 N   0.2816000      -2.408600     -0.5024000    
 C   0.5568000     -0.9597000     -0.3862000    
 C  -0.3392000     -0.3583000      0.7087000    
 C    2.014500     -0.6077000     -0.1304000    
 C   0.9669000      -3.181300      0.5404000    
 C    2.924500      -1.584400      0.3488000    
 C    2.487800      -3.015200      0.5301000    
 C   -1.785900     -0.5862000      0.4982000    
 C    2.455800      0.7098000     -0.3481000    
 C   0.5688000      -2.916800      -1.844100    
 C   -2.431400      0.6260000      0.3540000    
 C    4.264200      -1.242800      0.5963000    
 C    3.776500       1.009900     -8.6499996E-02
 C    4.655800      6.0400002E-02  0.3733000    
 C   -1.452300       1.696900      0.4485000    
 C   -2.502400      -1.768900      0.4476000    
 C   -3.795200      0.7277000      0.1492000    
 C   -3.883700      -1.700400      0.2416000    
 C   -4.525800     -0.4596000      9.3099996E-02
 C    5.714300       1.936200      0.1717000    
 C    2.060000       2.282500      -2.085500    
 C   -5.420700       2.264300      0.9568000    
 C   -6.329800     -0.4708000      -1.456600    
 H   0.2742000     -0.4883000      -1.339600    
 H  -4.0300000E-02 -0.6619000       1.719000    
 H   0.7122000      -4.245000      0.4536000    
 H   0.5806000      -2.879100       1.522100    
 H    2.920100      -3.611300     -0.2830000    
 H    2.889100      -3.405800       1.473300    
 H  -6.8200000E-02  -2.417000      -2.582600    
 H   0.3347000      -3.985300      -1.908900    
 H    1.611800      -2.774100      -2.145400    
 H    4.974900      -1.983700      0.9481000    
 H   -2.037600      -2.736500      0.5938000    
 H   -4.463300      -2.619700      0.2056000    
 H    5.968500       2.581300       1.020500    
 H    6.392400       2.163500     -0.6589000    
 H    2.627700       1.590500      -2.717300    
 H    2.643800       3.184800      -1.883200    
 H    1.158200       2.578400      -2.629700    
 H   -5.393800       3.347100       1.110100    
 H   -5.255000       1.776900       1.923900    
 H   -6.405600       2.001800      0.5609000    
 H   -7.422300     -0.4273000      -1.451200    
 H   -6.018800      -1.403300      -1.938200    
 H   -5.948600      0.3878000      -2.018500    


%chk=000019728-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019728

0 1
O -0.244470 0.584246 1.018462
O 1.197309 1.021330 -1.471564
O 4.029091 2.235419 -1.004215
O 5.704948 1.029966 0.193787
O -4.543007 1.764251 -0.003694
O -1.411853 2.571601 0.806395
O -5.919867 -0.516539 -0.897668
N 0.501620 -2.913828 -0.181652
C 0.554840 -1.432216 -0.301566
C -0.462042 -0.867075 0.755936
C 1.966710 -0.848254 -0.155993
C 1.289647 -3.411261 0.977080
C 3.003703 -1.577908 0.482752
C 2.787153 -3.025721 0.914759
C -1.910106 -0.943391 0.318079
C 2.216321 0.452711 -0.705459
C 0.809183 -3.607885 -1.454056
C -2.483008 0.357024 0.340988
C 4.294684 -1.002211 0.665192
C 3.491711 1.004859 -0.507603
C 4.491723 0.287457 0.180454
C -1.422390 1.323147 0.732977
C -2.641363 -2.063274 -0.104388
C -3.839879 0.560598 -0.040883
C -3.967250 -1.856690 -0.546863
C -4.566141 -0.574976 -0.529465
C 5.318285 2.379771 -0.281985
C 1.086940 2.498071 -1.506038
C -4.387660 2.662582 1.166601
C -6.309598 0.471464 -1.928334
H 0.165277 -1.154794 -1.296451
H -0.288559 -1.370513 1.723917
H 1.175497 -4.509572 1.026651
H 0.846793 -3.002930 1.904802
H 3.310663 -3.687873 0.194668
H 3.258046 -3.207121 1.899954
H 0.075178 -3.303425 -2.221080
H 0.715783 -4.698636 -1.303844
H 1.827919 -3.396643 -1.853460
H 5.099080 -1.554003 1.158670
H -2.174846 -3.051536 -0.112182
H -4.585352 -2.688903 -0.898321
H 5.171655 3.043162 0.593467
H 6.080242 2.747226 -0.984302
H 2.004347 2.954115 -1.912966
H 0.875231 2.880192 -0.492525
H 0.228558 2.697229 -2.164567
H -5.224993 3.371468 1.080756
H -3.416948 3.180540 1.130125
H -4.479813 2.080047 2.102083
H -7.391851 0.324882 -2.063679
H -5.779913 0.259954 -2.877386
H -6.092526 1.497665 -1.591969


