%chk=000027833.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027833

0 1
 O    1.248600      -1.574400      0.6181000    
 O    2.277600       1.156500     -0.2719000    
 O   0.6184000       2.606000      0.2955000    
 N   0.1134000      0.3481000     -0.1667000    
 C   0.7018000     -0.9554000     -0.5436000    
 C   -1.316100      0.4248000      2.9300001E-02
 C   -2.142200     -0.6106000     -0.4547000    
 C  -0.2498000      -1.913300      -1.176200    
 C   -1.574000      -1.756400      -1.155200    
 C   -1.932700       1.491800      0.7042000    
 C   -3.536100     -0.5480000     -0.2943000    
 C   0.9640000       1.468300     -1.2400000E-02
 C    1.938600      -2.770200      0.2896000    
 C   -3.321100       1.543700      0.8660000    
 C   -4.123200      0.5283000      0.3623000    
 C    2.508800      -3.374000       1.555200    
 C    3.220100       2.229900     -0.1636000    
 C    4.603900       1.704900     -0.4815000    
 H    1.506500     -0.7644000      -1.264800    
 H   0.1470000      -2.747900      -1.748500    
 H   -2.229500      -2.463300      -1.650700    
 H   -1.375100       2.297600       1.165600    
 H   -4.176100      -1.340000     -0.6773000    
 H    1.276800      -3.527500     -0.1397000    
 H    2.751400      -2.555700     -0.4137000    
 H   -3.772200       2.378100       1.395800    
 H   -5.200800      0.5696000      0.4880000    
 H    3.052900      -4.297700       1.338700    
 H    3.190400      -2.670200       2.044100    
 H    1.710700      -3.593800       2.272100    
 H    2.953300       3.022200     -0.8717000    
 H    3.201400       2.629800      0.8562000    
 H    5.350800       2.500300     -0.4075000    
 H    4.876900      0.8977000      0.2063000    
 H    4.633500       1.284400      -1.492100    


%chk=000027833-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027833

0 1
O 0.817276 -2.191545 0.193517
O 2.336351 0.868280 -0.583762
O 0.755791 2.358097 0.272304
N 0.157223 0.129704 -0.293337
C 0.633101 -1.172201 -0.854067
C -1.231257 0.250593 0.070479
C -2.170981 -0.561217 -0.642276
C -0.368787 -1.749379 -1.818336
C -1.695081 -1.472367 -1.682175
C -1.687336 1.129465 1.082350
C -3.551497 -0.454703 -0.331608
C 1.039497 1.212469 -0.157216
C 1.995415 -1.968750 1.063973
C -3.064935 1.209336 1.378266
C -4.004835 0.421469 0.672286
C 2.083357 -3.169663 2.004376
C 3.326720 1.984258 -0.530614
C 4.654734 1.411728 -1.015330
H 1.601995 -0.968045 -1.339964
H 0.010259 -2.447255 -2.570072
H -2.436571 -1.939918 -2.340804
H -0.977958 1.761884 1.617099
H -4.264356 -1.076277 -0.886706
H 2.906773 -1.870422 0.436787
H 1.865730 -1.025837 1.634060
H -3.402211 1.893053 2.164950
H -5.072444 0.492083 0.905151
H 2.944624 -3.060873 2.689131
H 1.163502 -3.253798 2.608197
H 2.205780 -4.104341 1.430419
H 2.960648 2.805882 -1.172081
H 3.378808 2.356388 0.508162
H 5.427061 2.202090 -0.998130
H 4.991300 0.585469 -0.365603
H 4.570207 1.033543 -2.048527


