%chk=000068764.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068764

0 1
 O    2.043700       3.769900      -1.718300    
 O   -7.954200      -1.284200     -0.5844000    
 O   -6.741000      -1.667900       1.296500    
 C    1.590300       1.751800     -0.4558000    
 C    2.940200       1.799200      0.2841000    
 C    1.279200       3.243300     -0.6356000    
 C    2.792300       2.963400       1.269000    
 C    1.752200       3.908600      0.6568000    
 C   0.4739000       1.038500      0.3072000    
 C    3.374800      0.5053000      0.9550000    
 C  -0.8219000      0.9981000     -0.5039000    
 C    3.548600     -0.6216000     -6.2700003E-02
 C   -1.944900      0.3163000      0.2804000    
 C    4.017900      -1.912800      0.6119000    
 C   -3.267300      0.2408000     -0.4889000    
 C    4.227800      -3.028900     -0.4137000    
 C   -4.422800     -0.4522000      0.2387000    
 C    4.721200      -4.337700      0.2068000    
 C   -5.698600     -0.5470000     -0.5973000    
 C    4.907000      -5.457700     -0.8049000    
 C   -6.818300      -1.225200      0.1591000    
 H    1.729600       1.270800      -1.432200    
 H    3.715600       2.081600     -0.4434000    
 H   0.2359000       3.479900     -0.8470000    
 H    2.444000       2.619000       2.250000    
 H    3.749900       3.471600       1.425500    
 H    2.180200       4.902200      0.4877000    
 H   0.9154000       4.016900       1.356500    
 H   0.7590000      4.9999999E-03  0.5293000    
 H   0.2874000       1.525300       1.272000    
 H    2.667100      0.2053000       1.736500    
 H    4.332000      0.6766000       1.464500    
 H  -0.6508000      0.4571000      -1.442500    
 H   -1.164100       2.001500     -0.7699000    
 H    2.610500     -0.8201000     -0.5917000    
 H    4.283500     -0.3188000     -0.8189000    
 H    1.844900       4.719700      -1.782700    
 H   -1.633300     -0.7004000      0.5501000    
 H   -2.112400      0.8559000       1.220800    
 H    4.957100      -1.729000       1.147700    
 H    3.277400      -2.231700       1.355200    
 H   -3.579900       1.259100     -0.7530000    
 H   -3.088400     -0.2824000      -1.436900    
 H    3.284300      -3.215900     -0.9415000    
 H    4.951900      -2.697200      -1.168300    
 H   -4.633400      8.8200003E-02   1.170300    
 H   -4.106100      -1.460900      0.5329000    
 H    5.674900      -4.160000      0.7181000    
 H    4.007900      -4.667900      0.9714000    
 H   -5.503000      -1.123200      -1.508200    
 H   -6.033300      0.4584000     -0.8747000    
 H    3.962900      -5.689400      -1.308100    
 H    5.260100      -6.366000     -0.3069000    
 H    5.642200      -5.177700      -1.565900    
 H   -8.686400      -1.720700     -9.8899998E-02


%chk=000068764-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068764

0 1
O 2.199591 3.799596 -1.759099
O -7.999886 -1.454314 -0.663262
O -6.829799 -1.801350 1.310925
C 1.577739 1.878703 -0.432880
C 2.957897 1.852695 0.305913
C 1.351034 3.398004 -0.612096
C 2.861218 3.027109 1.328957
C 1.836430 4.037795 0.720472
C 0.414779 1.203964 0.339433
C 3.393162 0.513667 0.936408
C -0.892030 1.081654 -0.479578
C 3.556001 -0.640439 -0.080168
C -2.021144 0.359353 0.289446
C 4.093724 -1.940026 0.559699
C -3.322036 0.215473 -0.531798
C 4.207508 -3.116431 -0.435953
C -4.445655 -0.506486 0.243403
C 4.763696 -4.408455 0.205053
C -5.731111 -0.647659 -0.593263
C 4.852815 -5.587382 -0.787995
C -6.852809 -1.350761 0.144976
H 1.657633 1.409549 -1.432519
H 3.709506 2.132888 -0.460095
H 0.295319 3.657171 -0.833521
H 2.502073 2.649257 2.305783
H 3.850070 3.487050 1.503669
H 2.283853 5.033936 0.541784
H 0.979146 4.189125 1.402764
H 0.725637 0.183598 0.639089
H 0.208182 1.749485 1.283826
H 2.673105 0.212175 1.725729
H 4.362175 0.669701 1.455862
H -0.677548 0.531590 -1.419726
H -1.249213 2.086342 -0.785416
H 2.580371 -0.849564 -0.565727
H 4.240812 -0.317772 -0.891964
H 2.186936 4.787415 -1.832401
H -1.668680 -0.647377 0.597034
H -2.238818 0.911014 1.227884
H 5.089941 -1.741213 1.008063
H 3.430725 -2.236299 1.400127
H -3.671817 1.223008 -0.841172
H -3.100921 -0.337863 -1.468705
H 3.207951 -3.326060 -0.871751
H 4.858706 -2.819204 -1.284722
H -4.673217 0.043926 1.176474
H -4.100428 -1.509878 0.558460
H 5.768561 -4.201657 0.627092
H 4.120699 -4.694535 1.062790
H -5.538193 -1.208989 -1.528848
H -6.108028 0.343026 -0.916220
H 3.856092 -5.833537 -1.200702
H 5.251717 -6.497550 -0.303082
H 5.515149 -5.340303 -1.639279
H -8.715919 -1.920364 -0.151376


