%chk=000013970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013970

0 1
 O   -5.047100      0.7570000      0.1804000    
 O  -0.3614000       2.375700      -1.119900    
 O    5.700200     -0.3579000       1.274200    
 C   -2.604600      0.4135000     -5.1899999E-02
 C   -1.779500     -0.8791000      0.1053000    
 C  -0.3879000     -0.8117000     -0.5469000    
 C   0.4218000      0.3502000      0.1153000    
 C   -3.941500     -1.9700000E-02  0.6378000    
 C   -1.822800       1.558300      0.6243000    
 C    1.922200      0.4313000     -0.3839000    
 C  -0.3663000       1.699100      0.1285000    
 C   -2.748300      -1.971300     -0.3362000    
 C   -4.122800      -1.489100      0.1664000    
 C   0.3478000      -2.149300     -0.3622000    
 C   -2.910300      0.7759000      -1.534000    
 C    2.557900     -0.9622000     -0.2907000    
 C    1.770400      -2.097300     -0.8978000    
 C    2.682800       1.426900      0.5398000    
 C   -3.964100      5.3900000E-02   2.169900    
 C    2.069400      0.8957000      -1.849800    
 C    4.195600       1.310600      0.4454000    
 C    3.761100      -1.206800      0.2551000    
 C    4.627400     -0.1037000      0.7307000    
 H   -1.598800      -1.051200       1.177700    
 H  -0.4885000     -0.6261000      -1.621500    
 H   0.4862000      6.7699999E-02   1.180300    
 H   -1.766200       1.377600       1.704200    
 H   -2.364700       2.502700      0.4911000    
 H   0.1379000       2.375000      0.8295000    
 H   -2.492700      -2.945100      9.4099998E-02
 H   -2.756500      -2.084600      -1.426100    
 H   -4.866000      -1.571700     -0.6353000    
 H   -4.470400      -2.133100      0.9827000    
 H  -0.1927000      -2.949100     -0.8819000    
 H   0.3697000      -2.422400      0.7012000    
 H   -2.007500      0.8429000      -2.145200    
 H   -3.562700      4.5899998E-02  -2.023600    
 H   -3.411900       1.748600      -1.597000    
 H    1.748700      -1.976300      -1.987800    
 H    2.253200      -3.063800     -0.7075000    
 H    2.396300       1.248500       1.585900    
 H    2.395300       2.460700      0.3129000    
 H   -4.920700     -0.3204000       2.554400    
 H   -3.165000     -0.5279000       2.636900    
 H   -3.892500       1.090900       2.515800    
 H    3.079100      0.7077000      -2.235200    
 H    1.371600      0.3800000      -2.517100    
 H    1.894800       1.970700      -1.955900    
 H   -4.878500       1.683200      0.4246000    
 H    4.654200       1.971400       1.189400    
 H    4.566300       1.600500     -0.5429000    
 H  -0.8128000       3.228300     -0.9996000    
 H    4.172500      -2.209000      0.3115000    


%chk=000013970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013970

0 1
O -5.124563 0.798931 0.163181
O -0.273246 2.363390 -1.109235
O 5.808147 -0.242908 1.329817
C -2.593610 0.440711 -0.021893
C -1.791889 -0.893094 0.065614
C -0.387939 -0.829254 -0.574694
C 0.432949 0.310520 0.107560
C -3.967184 0.000806 0.639249
C -1.777624 1.522485 0.722493
C 1.930578 0.420249 -0.406725
C -0.319510 1.670901 0.202457
C -2.798495 -1.963791 -0.428380
C -4.183624 -1.447493 0.082764
C 0.339611 -2.180681 -0.372963
C -2.875859 0.863441 -1.490407
C 2.580970 -0.964813 -0.239327
C 1.820959 -2.144110 -0.817168
C 2.673215 1.476038 0.468844
C -3.976985 0.031519 2.183819
C 2.045981 0.804823 -1.918126
C 4.210685 1.372243 0.405286
C 3.812807 -1.142744 0.338833
C 4.692116 -0.033949 0.760536
H -1.616586 -1.088178 1.149655
H -0.485118 -0.626500 -1.659647
H 0.528049 -0.003502 1.175156
H -1.709293 1.264877 1.797916
H -2.273334 2.517499 0.668817
H 0.221727 2.309996 0.932949
H -2.564025 -2.970753 -0.041229
H -2.781457 -2.027872 -1.532783
H -4.932914 -1.398653 -0.725474
H -4.597633 -2.102604 0.869768
H -0.188913 -2.980464 -0.925358
H 0.292696 -2.447894 0.703784
H -1.943050 0.958307 -2.067522
H -3.546338 0.147658 -1.994106
H -3.394099 1.839524 -1.515437
H 1.853435 -2.070573 -1.924867
H 2.328150 -3.089504 -0.550540
H 2.362259 1.342663 1.526010
H 2.356563 2.488891 0.159225
H -4.944135 -0.361909 2.543608
H -3.173655 -0.589056 2.620379
H -3.861472 1.060420 2.577205
H 3.103391 0.774534 -2.239632
H 1.483254 0.109532 -2.564676
H 1.637742 1.812503 -2.082319
H -5.096129 1.690164 0.597714
H 4.695433 2.095869 1.084280
H 4.572492 1.603705 -0.617377
H -0.955544 3.081374 -1.103475
H 4.228715 -2.151674 0.461840


