%chk=000076915.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076915

0 1
 O    2.328100       1.737000      6.0999999E-03
 O   0.1452000       3.281600     -5.7999999E-03
 C    2.268400      -1.136700     -7.9999998E-04
 C   -2.710100     -0.6394000      1.0000000E-03
 C    1.046600     -0.2766000     -1.9999999E-04
 C   -1.392600      7.8100003E-02 -6.0000003E-04
 C  -0.2061000     -0.7555000     -1.2000001E-03
 C    3.104900     -0.8403000       1.255300    
 C    3.114400     -0.8475000      -1.253700    
 C    1.865500      -2.622300     -3.1000001E-03
 C   -2.807400      -1.517900       1.257300    
 C   -2.822100      -1.523100      -1.251700    
 C   -3.858400      0.3825000      6.9999998E-04
 C    1.232500       1.195800      1.1000000E-03
 C   -1.315900       1.416300     -1.5000000E-03
 C   6.8999999E-03   2.068100     -2.7999999E-03
 H  -0.3895000      -1.820800     -4.0000002E-03
 H    2.499700     -0.9214000       2.166300    
 H    3.925200      -1.562800       1.348000    
 H    3.570600      0.1492000       1.250000    
 H    3.570700      0.1464000      -1.254000    
 H    2.516000     -0.9411000      -2.168000    
 H    3.940800      -1.564500      -1.332700    
 H    1.300000      -2.903500     -0.8997000    
 H    1.297600      -2.905300      0.8916000    
 H    2.762500      -3.255200     -2.0000001E-03
 H   -2.640100     -0.9324000       2.169500    
 H   -3.806500      -1.963200       1.338000    
 H   -2.097100      -2.351400       1.260100    
 H   -2.109000      -2.354200      -1.259800    
 H   -2.666000     -0.9399000      -2.167300    
 H   -3.821100      -1.971000      -1.318800    
 H   -3.863000       1.013600     -0.8963000    
 H   -3.860600       1.016200      0.8959000    
 H   -4.823900     -0.1404000      3.1999999E-03
 H   -2.152000       2.102200     -1.6000000E-03


%chk=000076915-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076915

0 1
O 2.415219 1.796610 -0.003472
O 0.132444 3.401646 -0.009370
C 2.327710 -1.170639 0.000004
C -2.781070 -0.614239 0.002127
C 1.092251 -0.248023 -0.000322
C -1.423714 0.114071 0.000456
C -0.203507 -0.719911 0.001073
C 3.184600 -0.892840 1.275497
C 3.185336 -0.892534 -1.274876
C 1.933298 -2.670443 -0.000252
C -2.880638 -1.507985 1.278372
C -2.881766 -1.511786 -1.271313
C -3.977501 0.369986 0.001191
C 1.281118 1.236506 -0.002288
C -1.308129 1.486850 -0.001956
C 0.002177 2.140833 -0.003226
H -0.356449 -1.803116 0.002549
H 2.600460 -1.084548 2.194915
H 4.063308 -1.564333 1.282203
H 3.543032 0.148349 1.294525
H 3.543761 0.148687 -1.293486
H 2.601806 -1.084078 -2.194712
H 4.064129 -1.563922 -1.281197
H 1.350878 -2.947313 -0.899582
H 1.350533 -2.947544 0.898780
H 2.852329 -3.283433 -0.000133
H -2.832568 -0.892586 2.194841
H -3.844223 -2.049865 1.275659
H -2.073773 -2.260420 1.329514
H -2.074989 -2.264420 -1.320903
H -2.834426 -0.899136 -2.189663
H -3.845381 -2.053598 -1.266178
H -3.976637 1.015309 -0.896163
H -3.975827 1.017998 0.896604
H -4.923500 -0.200724 0.002467
H -2.176091 2.151190 -0.003187


