%chk=000085826.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085826

0 1
 O    2.419000      0.5545000      0.6412000    
 O    1.031200      -1.177900     -0.1809000    
 C   9.9799998E-02   1.062200      3.5900000E-02
 C    1.091300      1.6899999E-02  0.6107000    
 C   -1.329200      0.5366000     -2.7100001E-02
 C   0.1922000       2.396100      0.7892000    
 C   -1.779100     -0.2892000      0.9814000    
 C   -2.126800      0.9042000      -1.090300    
 C    2.905300      0.9167000     -0.6440000    
 C    1.875200      -2.205700      0.3203000    
 C   -3.087100     -0.7702000      0.9240000    
 C   -3.435000      0.4232000      -1.147600    
 C   -3.915000     -0.4139000     -0.1403000    
 C    4.307200       1.470300     -0.5027000    
 C    1.750900      -3.423800     -0.5700000    
 H   0.3703000       1.250500      -1.010000    
 H   0.8515000     -0.2277000       1.650400    
 H  -7.2899997E-02   2.269000       1.844900    
 H  -0.5001000       3.131700      0.3644000    
 H    1.196700       2.826800      0.7431000    
 H   -1.179000     -0.5668000       1.839600    
 H   -1.763900       1.558000      -1.877500    
 H    2.923300      4.9100000E-02  -1.311400    
 H    2.306400       1.706800      -1.101500    
 H    2.919600      -1.877200      0.3348000    
 H    1.572000      -2.464000       1.341000    
 H   -3.463600      -1.416800       1.711400    
 H   -4.080200      0.7016000      -1.975700    
 H   -4.934100     -0.7870000     -0.1842000    
 H    4.714200       1.761000      -1.475400    
 H    4.312800       2.343700      0.1580000    
 H    4.971100      0.7255000     -5.1399998E-02
 H    2.383800      -4.239100     -0.2084000    
 H   0.7130000      -3.771100     -0.6054000    
 H    2.040400      -3.180600      -1.597700    


%chk=000085826-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085826

0 1
O 2.454991 0.641918 0.668981
O 1.069656 -0.995405 -0.436965
C 0.056632 1.147268 0.007652
C 1.098205 0.108299 0.506249
C -1.348352 0.540610 0.041044
C 0.154494 2.456627 0.827561
C -2.013745 0.295617 1.271186
C -2.012196 0.193542 -1.162003
C 3.090659 1.133796 -0.574655
C 1.726487 -2.223503 0.062493
C -3.304313 -0.278376 1.296677
C -3.305267 -0.375778 -1.142771
C -3.957709 -0.615032 0.088632
C 4.577037 1.320756 -0.269955
C 1.642581 -3.266905 -1.049984
H 0.306573 1.369537 -1.048146
H 0.852663 -0.237305 1.532531
H -0.071210 2.284815 1.895647
H -0.566032 3.201179 0.445536
H 1.170900 2.882432 0.775260
H -1.528439 0.559492 2.218981
H -1.504920 0.361015 -2.119558
H 2.929217 0.395976 -1.384714
H 2.628442 2.096533 -0.879190
H 2.776923 -1.996409 0.334116
H 1.196350 -2.567712 0.976478
H -3.801230 -0.459548 2.256918
H -3.801460 -0.634901 -2.085184
H -4.960695 -1.056303 0.107074
H 5.107337 1.708998 -1.159117
H 4.717272 2.034642 0.560341
H 5.037030 0.360625 0.021878
H 2.102953 -4.217034 -0.722297
H 0.589734 -3.460379 -1.318250
H 2.170633 -2.915687 -1.953646


