%chk=000004544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004544

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=000004544-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004544

0 1
O -0.244432 0.583852 1.018626
O 1.197017 1.021548 -1.471272
O 4.028672 2.235932 -1.003534
O 5.704671 1.030276 0.193992
O -4.542748 1.764205 -0.003480
O -1.411786 2.571258 0.806873
O -5.919961 -0.516264 -0.897467
N 0.501758 -2.913972 -0.182060
C 0.554879 -1.432366 -0.301844
C -0.462037 -0.867401 0.755724
C 1.966664 -0.848246 -0.156178
C 1.289848 -3.411473 0.976591
C 3.003740 -1.577908 0.482429
C 2.787313 -3.025775 0.914277
C -1.910125 -0.943596 0.317965
C 2.216117 0.452888 -0.705349
C 0.809361 -3.607896 -1.454528
C -2.482908 0.356832 0.340989
C 4.294682 -1.002141 0.664906
C 3.491444 1.005116 -0.507388
C 4.491559 0.287650 0.180454
C -1.422305 1.322827 0.733284
C -2.641491 -2.063403 -0.104508
C -3.839712 0.560537 -0.040949
C -3.967402 -1.856712 -0.546904
C -4.566123 -0.574944 -0.529494
C 5.317729 2.380226 -0.281142
C 1.086459 2.498230 -1.505584
C -4.387213 2.662458 1.166880
C -6.309279 0.471595 -1.928472
H 0.165264 -1.154913 -1.296703
H -0.288532 -1.371105 1.723572
H 1.175826 -4.509804 1.026038
H 0.846937 -3.003322 1.904366
H 3.310870 -3.687804 0.194113
H 3.258226 -3.207241 1.899455
H 0.075342 -3.303404 -2.221528
H 0.715997 -4.698662 -1.304419
H 1.828087 -3.396570 -1.853910
H 5.099158 -1.553929 1.158256
H -2.175074 -3.051709 -0.112264
H -4.585597 -2.688878 -0.898310
H 5.170889 3.043148 0.594633
H 6.079703 2.748210 -0.983166
H 2.003446 2.954358 -1.913385
H 0.875718 2.880322 -0.491869
H 0.227438 2.697371 -2.163280
H -5.224380 3.371517 1.080917
H -3.416384 3.180201 1.130381
H -4.479548 2.079863 2.102284
H -7.391611 0.325519 -2.063767
H -5.779715 0.259507 -2.877460
H -6.091750 1.497792 -1.592392


