%chk=000100199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100199

0 1
 O   7.8699999E-02  0.1982000      -1.465200    
 O   -4.138900      -1.625300       1.636400    
 O   -3.629800      -2.684500     -0.9057000    
 O    4.412200      -2.088000     -7.3200002E-02
 O    6.002800     -0.3418000      0.4046000    
 C   -1.612700      0.7559000      0.1614000    
 C  -0.2301000       1.035200      0.7608000    
 C   0.6531000       1.113400     -0.5013000    
 C   -1.165300     -0.1452000     -0.9545000    
 C   -2.313100       2.001200     -0.4137000    
 C   -2.571200      6.7199998E-02   1.097300    
 C  -0.1186000       2.269700       1.649400    
 C    2.100700      0.7581000     -0.2528000    
 C   -1.776800      -1.280400      -1.306500    
 C   -3.215100      -1.065500      0.7813000    
 C   -2.946900      -1.741100     -0.5205000    
 C   -3.585000       1.624100      -1.096700    
 C    2.507100     -0.5787000     -0.3019000    
 C    3.030800       1.776300      2.6400000E-02
 C    3.838900     -0.8537000     -6.8300001E-02
 C    4.373900       1.470500      0.2592000    
 C    4.747200      0.1434000      0.2047000    
 C   -4.788700       2.071400     -0.7222000    
 C    5.783300      -1.755900      0.2265000    
 C   -5.436300      -1.124600       1.374600    
 H   7.5099997E-02  0.1685000       1.368600    
 H   0.6038000       2.108900     -0.9620000    
 H   -1.680200       2.521300      -1.143500    
 H   -2.516600       2.725500      0.3860000    
 H   -2.785100      0.5527000       2.046700    
 H  -0.8540000       2.235700       2.459500    
 H   0.8737000       2.326100       2.108500    
 H  -0.2720000       3.195500       1.086100    
 H   -1.402800      -1.921100      -2.095900    
 H   -3.532200       1.001900      -1.986100    
 H    1.812000      -1.386200     -0.5044000    
 H    2.711400       2.814900      6.4199999E-02
 H    5.092400       2.253000      0.4750000    
 H   -5.676700       1.786400      -1.275700    
 H   -4.912300       2.720300      0.1377000    
 H    6.417400      -2.108800     -0.5950000    
 H    6.077100      -2.275200       1.145900    
 H   -5.497800     -5.3800002E-02   1.597100    
 H   -6.140200      -1.644000       2.031900    
 H   -5.741700      -1.312100      0.3394000    


%chk=000100199-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100199

0 1
O -0.007304 0.275162 -1.426669
O -4.270578 -1.467390 1.704616
O -3.834719 -2.614805 -0.936791
O 4.406530 -2.073784 0.552188
O 6.111409 -0.414027 0.231263
C -1.629092 0.809315 0.260016
C -0.197421 1.079528 0.859090
C 0.679736 1.202023 -0.425693
C -1.251126 -0.078288 -0.904697
C -2.262212 2.167859 -0.281775
C -2.631551 0.151413 1.167700
C -0.041286 2.268855 1.818496
C 2.129006 0.803403 -0.288776
C -1.992020 -1.136555 -1.348248
C -3.373702 -0.930910 0.774216
C -3.139960 -1.611476 -0.560423
C -3.518345 2.001409 -1.107588
C 2.470646 -0.537924 0.063679
C 3.142072 1.772222 -0.488355
C 3.824944 -0.831457 0.198823
C 4.520936 1.460971 -0.333108
C 4.830763 0.144470 0.010033
C -4.699104 2.610284 -0.837310
C 5.875044 -1.870387 0.438389
C -5.596107 -1.949804 1.246810
H 0.104853 0.155091 1.390726
H 0.612219 2.223884 -0.844516
H -1.497140 2.687969 -0.893812
H -2.476200 2.809524 0.592476
H -2.849859 0.617668 2.135612
H -0.704902 2.157572 2.694662
H 0.997237 2.322749 2.191353
H -0.273954 3.232573 1.331706
H -1.692511 -1.738959 -2.210715
H -3.433216 1.361035 -1.997000
H 1.705344 -1.307984 0.192692
H 2.860193 2.791516 -0.775694
H 5.301731 2.210173 -0.483195
H -5.571885 2.480733 -1.486736
H -4.829675 3.252104 0.043547
H 6.249616 -2.423087 -0.442449
H 6.354697 -2.180225 1.379985
H -6.123740 -1.154866 0.686552
H -6.137616 -2.175301 2.178685
H -5.490250 -2.842874 0.614334


