%chk=000139016.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139016

0 1
 O    4.361400      0.7600000     -0.3223000    
 O    7.545000      -1.354800     -0.6143000    
 O    6.513100     -0.7319000       1.355400    
 C   -3.076500     -0.1651000     -0.2154000    
 C   -4.445400      0.4105000      0.1641000    
 C   -1.908200      0.7441000      0.1731000    
 C   -5.653000     -0.4907000     -0.1173000    
 C  -0.5410000      0.1737000     -0.2177000    
 C   -6.993600      0.1627000      0.2278000    
 C   0.6268000       1.093200      0.1484000    
 C   -8.203400     -0.7044000     -0.1359000    
 C    1.965200      0.4886000     -0.2891000    
 C   -9.545300     -4.4000000E-02  0.1827000    
 C    3.147600       1.373200      8.7399997E-02
 C   -10.70800     -0.9752000     -0.1264000    
 C    5.489200       1.558000      1.2800000E-02
 C    6.755100      0.8569000     -0.4466000    
 C    6.904800     -0.4877000      0.2215000    
 C    7.766000      -2.667100     -8.8100001E-02
 H   -2.951000      -1.138900      0.2735000    
 H   -3.053200     -0.3481000      -1.296500    
 H   -4.581800       1.360100     -0.3688000    
 H   -4.439700      0.6557000       1.233800    
 H   -1.929100      0.9170000       1.256200    
 H   -2.039700       1.721900     -0.3064000    
 H   -5.648900     -0.7635000      -1.179800    
 H   -5.546700      -1.423800      0.4493000    
 H  -0.4047000     -0.7983000      0.2724000    
 H  -0.5283000     -1.2100000E-02  -1.298900    
 H   -7.018900      0.3893000       1.300700    
 H   -7.072700       1.121200     -0.3002000    
 H   0.4910000       2.069800     -0.3314000    
 H   0.6339000       1.261500       1.232000    
 H   -8.130400      -1.656700      0.4042000    
 H   -8.165600     -0.9447000      -1.205700    
 H    2.098200     -0.5014000      0.1652000    
 H    1.968900      0.3228000      -1.373700    
 H   -9.652100      0.8786000     -0.3993000    
 H   -9.579600      0.2340000       1.242400    
 H    3.165100       1.524800       1.173200    
 H    3.049100       2.350200     -0.4004000    
 H   -10.64560      -1.892100      0.4683000    
 H   -11.65820     -0.4841000      0.1055000    
 H   -10.71790      -1.251800      -1.185500    
 H    5.514300       1.723300       1.096500    
 H    5.411200       2.530500     -0.4868000    
 H    7.640900       1.458400     -0.2221000    
 H    6.697100      0.6990000      -1.530100    
 H    8.281800      -3.256800     -0.8506000    
 H    6.810800      -3.148700      0.1416000    
 H    8.398000      -2.616100      0.8036000    


%chk=000139016-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139016

0 1
O 4.406839 0.848377 -0.495162
O 7.475246 -1.537728 -0.512441
O 6.814670 -0.563897 1.496425
C -3.116510 -0.073507 -0.280828
C -4.476619 0.458585 0.224166
C -1.915554 0.786534 0.172918
C -5.678207 -0.401637 -0.227787
C -0.556354 0.256660 -0.336303
C -7.038056 0.131626 0.277128
C 0.644049 1.115400 0.121372
C -8.240491 -0.728448 -0.172996
C 1.997741 0.582074 -0.400581
C -9.599881 -0.194736 0.334116
C 3.181281 1.435961 0.062457
C -10.795637 -1.060067 -0.119339
C 5.610636 1.594006 -0.116561
C 6.810265 0.769439 -0.589770
C 7.005560 -0.475292 0.262596
C 7.730571 -2.801403 0.221506
H -2.975776 -1.115573 0.075401
H -3.132476 -0.124442 -1.389814
H -4.617724 1.500424 -0.132887
H -4.460293 0.510575 1.333144
H -1.897909 0.834475 1.282012
H -2.058208 1.829376 -0.180554
H -5.694645 -0.454183 -1.336729
H -5.537740 -1.443339 0.129745
H -0.414142 -0.786647 0.014709
H -0.572478 0.211841 -1.445274
H -7.021067 0.185018 1.386073
H -7.178812 1.173131 -0.081129
H 0.496983 2.160062 -0.225003
H 0.662291 1.154053 1.230731
H -8.101263 -1.770384 0.184502
H -8.260019 -0.781406 -1.281913
H 2.155499 -0.457497 -0.053812
H 1.992681 0.552790 -1.507488
H -9.738489 0.846140 -0.023681
H -9.579061 -0.141676 1.441973
H 3.246336 1.452058 1.173954
H 3.069126 2.487074 -0.291074
H -10.695857 -2.098348 0.249954
H -11.754370 -0.658134 0.257351
H -10.857492 -1.102634 -1.223323
H 5.652280 1.730417 0.985363
H 5.612210 2.594197 -0.603199
H 7.730800 1.380857 -0.511540
H 6.687022 0.480111 -1.645866
H 8.090678 -3.502661 -0.544094
H 6.798995 -3.163694 0.687389
H 8.489368 -2.642927 1.006463


