%chk=000101901.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101901

0 1
 O   -2.291600      0.8879000      -2.110200    
 O   -4.271000      0.8554000      0.6305000    
 O   -5.278900      -1.245900     -0.7066000    
 O    6.691600      -1.378400      -1.409200    
 O   -4.205400      -2.688400      0.7440000    
 C   -1.060500      0.4104000     -2.4599999E-02
 C   2.6000000E-03   1.510900     -0.2212000    
 C   -2.298400       1.076600     -0.6899000    
 C    1.328800       1.203600      0.4975000    
 C  -0.7298000       2.789600      0.1738000    
 C   -2.157500       2.602900     -0.3988000    
 C  -0.5092000     -0.8560000     -0.7066000    
 C    1.766100     -0.2597000      0.2706000    
 C   -1.341200      0.1029000       1.473600    
 C    2.407900       2.198900      2.7700000E-02
 C    3.191300     -0.6135000      0.7709000    
 C   0.9194000      -1.146200     -0.3044000    
 C   -3.602100      0.4358000     -0.3127000    
 C   -3.194900       3.228200      0.5279000    
 C    3.780200       1.894500      0.6179000    
 C    4.168000      0.4704000      0.3053000    
 C    3.175900     -0.6679000       2.318200    
 C    3.658600      -1.996100      0.3302000    
 C   -4.037200     -0.7449000      -1.154500    
 C    5.286600      0.2191000     -0.3932000    
 C    4.770100      -2.252900     -0.3666000    
 C    5.666400      -1.156400     -0.7740000    
 C   -5.225700      -2.224000      0.2537000    
 C   -6.610200      -2.656900      0.6306000    
 H   0.2277000       1.591800      -1.296900    
 H    1.189100       1.347700       1.576600    
 H  -0.7426000       2.916900       1.262300    
 H  -0.2523000       3.678600     -0.2520000    
 H   -2.205400       3.153300      -1.348600    
 H  -0.5310000     -0.7779000      -1.799300    
 H   -1.125200      -1.722000     -0.4386000    
 H   -2.086100     -0.6948000       1.573700    
 H  -0.4520000     -0.2435000       2.008600    
 H   -1.719900      0.9733000       2.016400    
 H    2.121900       3.219200      0.3100000    
 H    2.479300       2.184900      -1.068600    
 H    1.225900      -2.171000     -0.4877000    
 H   -3.194900       2.782400       1.527000    
 H   -2.965100       4.291800      0.6660000    
 H   -4.199500       3.187700      9.5700003E-02
 H    3.773200       2.053800       1.702000    
 H    4.507300       2.606900      0.2093000    
 H   -1.541300       1.376000      -2.487900    
 H    2.497000      -1.449600       2.682900    
 H    4.173700     -0.8862000       2.720500    
 H    2.846600      0.2713000       2.775100    
 H    3.059700      -2.852200      0.6373000    
 H   -3.270100      -1.523000      -1.167700    
 H   -4.209800     -0.4161000      -2.183300    
 H    5.946700       1.015400     -0.7207000    
 H    5.047700      -3.266100     -0.6327000    
 H   -7.121400      -3.065100     -0.2448000    
 H   -7.164100      -1.808200       1.039500    
 H   -6.551300      -3.436400       1.395500    


%chk=000101901-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101901

0 1
O -2.237661 0.993614 -2.179888
O -4.257949 0.616000 0.728815
O -5.293601 -1.341920 -0.882810
O 6.599136 -1.735556 -1.430117
O -3.700408 -2.484433 0.377249
C -1.106386 0.465723 0.030141
C -0.019661 1.564026 -0.183541
C -2.344962 1.155308 -0.704622
C 1.315842 1.249259 0.525577
C -0.744471 2.878771 0.177263
C -2.207955 2.702091 -0.358026
C -0.612262 -0.851345 -0.608367
C 1.703292 -0.222918 0.308629
C -1.403437 0.227322 1.533999
C 2.428832 2.204718 0.007633
C 3.126613 -0.631676 0.799508
C 0.840086 -1.122298 -0.245330
C -3.664385 0.457255 -0.365436
C -3.258000 3.345200 0.572303
C 3.834197 1.838902 0.548573
C 4.145321 0.383654 0.269262
C 3.132248 -0.593042 2.379493
C 3.484434 -2.058339 0.432473
C -4.200913 -0.518977 -1.428014
C 5.249400 0.004271 -0.445140
C 4.601936 -2.416845 -0.259150
C 5.561453 -1.404545 -0.764664
C -4.901154 -2.282554 0.080243
C -6.104827 -2.968748 0.677059
H 0.220222 1.581936 -1.274328
H 1.192058 1.439263 1.614868
H -0.756754 3.017294 1.275467
H -0.263037 3.772357 -0.258601
H -2.298502 3.209049 -1.340226
H -0.722600 -0.814042 -1.712357
H -1.236976 -1.700843 -0.267445
H -2.171000 -0.554318 1.655864
H -0.488861 -0.123859 2.043105
H -1.765577 1.131789 2.050372
H 2.181569 3.246809 0.286501
H 2.452055 2.154750 -1.099698
H 1.180733 -2.147839 -0.434141
H -3.277927 2.870857 1.566725
H -3.013332 4.417110 0.699096
H -4.278195 3.276783 0.156723
H 3.860936 2.033749 1.640245
H 4.600845 2.487597 0.088074
H -1.387063 1.398731 -2.482985
H 2.410113 -1.331555 2.770278
H 4.136993 -0.841661 2.764189
H 2.848207 0.400040 2.766416
H 2.810498 -2.833911 0.821994
H -3.381794 -1.151521 -1.808042
H -4.638836 0.034723 -2.273363
H 5.961199 0.750526 -0.819742
H 4.843082 -3.465874 -0.466632
H -6.895158 -3.105264 -0.077591
H -6.513827 -2.330656 1.481612
H -5.810131 -3.936139 1.110003


