%chk=000104487.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104487

0 1
 O    4.371700       1.296000     -0.3110000    
 O    5.422700     -0.8167000     -0.2724000    
 C   -2.098000     -0.4835000     -0.2482000    
 C  -0.8067000      0.2424000      0.1353000    
 C   -3.366300      0.2823000      0.1409000    
 C   0.4251000     -0.5784000     -0.2542000    
 C   -4.693600     -0.3821000     -0.2401000    
 C    1.746700      6.2199999E-02  0.1809000    
 C   -5.925000      0.3968000      0.2296000    
 C    3.016800     -0.6814000     -0.2482000    
 C   -7.217500     -0.3193000     -0.1717000    
 C    4.327700     -3.4899998E-02  0.2193000    
 C   -8.481100      0.4034000      0.3006000    
 C   -9.767700     -0.3157000     -7.3899999E-02
 C    5.277500       2.129800      0.3997000    
 C    5.667300      -1.976400      0.5127000    
 C    5.265400       3.511100     -0.2194000    
 C    6.835300      -2.735600     -7.9800002E-02
 H   -2.106800     -0.6591000      -1.331000    
 H   -2.118900      -1.469400      0.2323000    
 H  -0.7700000       1.220300     -0.3590000    
 H  -0.7983000      0.4251000       1.216500    
 H   -3.331000       1.278200     -0.3188000    
 H   -3.354900      0.4437000       1.226500    
 H   0.4357000     -0.7175000      -1.342300    
 H   0.3552000      -1.578300      0.1918000    
 H   -4.730900     -0.5015000      -1.329900    
 H   -4.719500      -1.391200      0.1895000    
 H    1.781200       1.083900     -0.2175000    
 H    1.747800      0.1563000       1.274200    
 H   -5.911900       1.403800     -0.2041000    
 H   -5.892100      0.5125000       1.319500    
 H    3.026800     -0.7445000      -1.344600    
 H    2.946100      -1.714100      0.1083000    
 H   -7.211800      -1.334800      0.2435000    
 H   -7.250600     -0.4238000      -1.263300    
 H    4.345300      8.1000002E-03   1.316600    
 H   -8.446700      0.5198000       1.390400    
 H   -8.502200       1.413300     -0.1261000    
 H   -9.798600      -1.316200      0.3691000    
 H   -9.855100     -0.4182000      -1.160100    
 H   -10.63590      0.2444000      0.2871000    
 H    6.287300       1.708400      0.3486000    
 H    4.972400       2.197700       1.449900    
 H    4.793300      -2.632900      0.5297000    
 H    5.907800      -1.680400       1.539900    
 H    5.555700       3.463300      -1.274200    
 H    4.258300       3.939900     -0.1859000    
 H    5.951900       4.181100      0.3055000    
 H    6.618500      -3.032300      -1.111400    
 H    7.729500      -2.104300     -0.1116000    
 H    7.057200      -3.632100      0.5060000    


%chk=000104487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104487

0 1
O 4.376120 1.262357 -0.349649
O 5.429456 -0.850542 -0.249598
C -2.201429 -0.456503 -0.293907
C -0.883722 0.114671 0.276507
C -3.464741 0.199247 0.307958
C 0.379516 -0.557025 -0.307360
C -4.782846 -0.364326 -0.269113
C 1.693971 0.038073 0.244660
C -6.046175 0.284320 0.340819
C 2.950386 -0.665577 -0.313389
C -7.364728 -0.276590 -0.238038
C 4.261025 -0.061597 0.200618
C -8.627756 0.369832 0.375915
C -9.940456 -0.194970 -0.209029
C 5.529710 2.028811 0.168040
C 5.856906 -1.877243 0.713313
C 5.489353 3.406379 -0.490750
C 7.112406 -2.540190 0.145813
H -2.210090 -0.325137 -1.396301
H -2.235347 -1.551364 -0.111924
H -0.841907 1.206263 0.079139
H -0.882543 -0.001135 1.380909
H -3.427613 1.295028 0.132793
H -3.458993 0.061212 1.409720
H 0.370236 -0.457510 -1.412850
H 0.346949 -1.646317 -0.093210
H -4.791962 -0.219633 -1.369893
H -4.816881 -1.461287 -0.100543
H 1.750517 1.115382 -0.001791
H 1.688105 -0.034954 1.353487
H -6.011210 1.381610 0.174485
H -6.037906 0.137346 1.441422
H 2.968999 -0.603322 -1.417713
H 2.934370 -1.741161 -0.046354
H -7.400118 -1.374283 -0.074460
H -7.376011 -0.126784 -1.338167
H 4.283910 -0.020356 1.321663
H -8.615747 0.218873 1.474894
H -8.590575 1.466573 0.213191
H -10.015215 -1.285014 -0.033879
H -9.991049 -0.027915 -1.301726
H -10.827469 0.282269 0.247160
H 6.462787 1.486556 -0.077462
H 5.446446 2.108566 1.275449
H 5.051745 -2.630510 0.860199
H 6.066441 -1.405410 1.700147
H 5.561614 3.307763 -1.587500
H 4.545904 3.927562 -0.252107
H 6.333473 4.026949 -0.137783
H 6.893795 -3.002298 -0.832159
H 7.912029 -1.793051 0.001459
H 7.481420 -3.324436 0.832096


