%chk=000122418.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122418

0 1
 O    5.186900       2.453300      0.8732000    
 O    4.020000       2.319800      -1.072900    
 C   -3.285700      1.0100000E-02 -0.2633000    
 C   -2.053300      0.1164000      0.6414000    
 C   -4.610400      0.1276000      0.4940000    
 C  -0.6990000     -8.8000000E-02 -4.8999999E-02
 C   -5.835800     -5.8600001E-02 -0.4085000    
 C   0.5282000     -4.8500001E-02  0.8673000    
 C   -7.161100      7.9200000E-02  0.3479000    
 C    1.847500     -0.3188000      0.1364000    
 C   -8.390900     -0.1658000     -0.5311000    
 C    3.063100     -0.2601000       1.070300    
 C   -9.712700     -3.0000001E-04  0.2194000    
 C    4.362300     -0.6069000      0.3848000    
 C   -10.90330     -0.2421000     -0.6958000    
 C    5.129000      0.3810000     -0.2152000    
 C    4.766400      -1.934300      0.3715000    
 C    6.325900      3.4800000E-02 -0.8424000    
 C    5.963400      -2.280700     -0.2555000    
 C    6.743000      -1.296200     -0.8624000    
 C    4.716600       1.778100     -0.2103000    
 H   -3.234900      0.7894000      -1.033200    
 H   -3.257500     -0.9536000     -0.7867000    
 H   -2.055000       1.099500       1.128700    
 H   -2.144600     -0.6260000       1.444500    
 H   -4.638200     -0.6232000       1.293300    
 H   -4.661900       1.110100      0.9790000    
 H  -0.5845000      0.6758000     -0.8284000    
 H  -0.7174000      -1.055900     -0.5657000    
 H   -5.789000      -1.049000     -0.8776000    
 H   -5.805000      0.6796000      -1.219200    
 H   0.4015000     -0.7908000       1.665000    
 H   0.5776000      0.9334000       1.353600    
 H   -7.222300       1.084100      0.7836000    
 H   -7.174000     -0.6301000       1.184800    
 H    1.796600      -1.306900     -0.3387000    
 H    1.967400      0.4092000     -0.6750000    
 H   -8.335800      -1.178000     -0.9506000    
 H   -8.367500      0.5299000      -1.379300    
 H    2.908200     -0.9578000       1.904800    
 H    3.124500      0.7261000       1.545700    
 H   -9.752900     -0.7031000       1.059500    
 H   -9.778100       1.010700      0.6378000    
 H   -11.83860     -0.1196000     -0.1407000    
 H   -10.90780      0.4671000      -1.529700    
 H   -10.88260      -1.256400      -1.106900    
 H    4.166400      -2.710400      0.8384000    
 H    6.942000      0.7929000      -1.319200    
 H    6.287900      -3.317100     -0.2719000    
 H    7.674700      -1.566000      -1.350900    
 H    4.903000       3.392200      0.8694000    


%chk=000122418-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122418

0 1
O 5.498684 2.791686 -0.784478
O 3.516151 2.334883 0.306996
C -3.282493 -0.209647 -0.182258
C -2.064085 -0.175486 0.767726
C -4.635538 -0.077512 0.552522
C -0.711387 -0.325425 0.035574
C -5.854684 -0.101232 -0.396847
C 0.505316 -0.272933 0.986764
C -7.207643 0.019279 0.340380
C 1.853692 -0.437355 0.253030
C -8.427574 0.002428 -0.608113
C 3.064426 -0.374722 1.228739
C -9.780101 0.118117 0.131633
C 4.396064 -0.553213 0.517194
C -10.993640 0.104182 -0.822953
C 5.106330 0.499495 -0.151039
C 4.966775 -1.852986 0.480242
C 6.334798 0.222403 -0.817779
C 6.179478 -2.123093 -0.186692
C 6.870673 -1.077183 -0.842070
C 4.599880 1.899551 -0.160109
H -3.188406 0.608119 -0.927282
H -3.270595 -1.157862 -0.759938
H -2.068858 0.778753 1.335054
H -2.164535 -0.984819 1.521399
H -4.731726 -0.899711 1.292665
H -4.644548 0.866964 1.136194
H -0.614392 0.477690 -0.724311
H -0.701715 -1.285049 -0.522955
H -5.841560 -1.041852 -0.986743
H -5.762813 0.726168 -1.131547
H 0.402866 -1.065966 1.757844
H 0.505460 0.694821 1.529317
H -7.218781 0.957480 0.934182
H -7.300974 -0.811031 1.071814
H 1.869962 -1.403244 -0.292193
H 1.960490 0.365052 -0.501016
H -8.416549 -0.933906 -1.204885
H -8.337919 0.835158 -1.337152
H 2.951778 -1.179274 1.981715
H 3.024543 0.594318 1.754191
H -9.869585 -0.715397 0.858282
H -9.788547 1.052507 0.729563
H -11.947342 0.188047 -0.269727
H -10.943257 0.945831 -1.539598
H -11.024534 -0.833150 -1.410299
H 4.438205 -2.666074 0.991916
H 6.855850 1.046071 -1.311967
H 6.585549 -3.140999 -0.192694
H 7.815031 -1.273725 -1.360414
H 5.094080 3.699943 -0.755674


