%chk=000178701.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178701

0 1
 O    2.407400      -2.107900     -0.2260000    
 O   -1.302700       1.503600      0.2275000    
 O    1.163000      -3.106000       1.445200    
 C    4.016500     -0.2989000      4.5899998E-02
 C    3.352900      0.6421000     -0.9824000    
 C    3.014400      -1.244700      0.7253000    
 C    2.289000       1.535600     -0.3929000    
 C    5.121700      -1.104000     -0.6475000    
 C   0.9750000       1.096200     -0.3588000    
 C    2.645300       2.779300      0.1045000    
 C  -8.2000000E-03   1.921900      0.1867000    
 C    1.662200       3.604900      0.6499000    
 C   0.3356000       3.176100      0.6911000    
 C   -1.584500      0.2104000     -0.3055000    
 C   -3.057800     -5.2999999E-02 -0.1986000    
 C    1.493900      -2.995900      0.2723000    
 C   -3.567500     -0.6601000      0.9437000    
 C   -3.900200      0.3129000      -1.242500    
 C   0.9392000      -3.835300     -0.8385000    
 C   -4.937200     -0.9047000       1.043300    
 C   -5.269900      6.8300001E-02  -1.142800    
 C   -5.788200     -0.5406000      9.9999997E-05
 H    4.482100      0.3114000      0.8309000    
 H    2.920900      6.0199998E-02  -1.807900    
 H    4.122100       1.271200      -1.451000    
 H    2.249700     -0.6862000       1.275300    
 H    3.553800      -1.858900       1.458100    
 H    5.884500     -0.4351000      -1.060500    
 H    5.617700      -1.774300      6.2399998E-02
 H    4.727200      -1.710600      -1.469600    
 H   0.7663000      0.1166000     -0.7725000    
 H    3.676100       3.120800      7.9200000E-02
 H    1.929800       4.581200       1.043200    
 H  -0.4258000       3.823400       1.117500    
 H   -1.046700     -0.5671000      0.2538000    
 H   -1.301500      0.1529000      -1.365100    
 H   -2.914200     -0.9459000       1.763500    
 H   -3.508100      0.7900000      -2.136500    
 H    1.746200      -4.392800      -1.320200    
 H   0.4256000      -3.197300      -1.562100    
 H   0.2185000      -4.549000     -0.4290000    
 H   -5.341000      -1.378200       1.933500    
 H   -5.932900      0.3525000      -1.954800    
 H   -6.854800     -0.7308000      7.7699997E-02


%chk=000178701-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178701

0 1
O 2.915766 -2.520788 0.145223
O -1.430036 1.599236 -0.034784
O 0.591651 -2.301840 -0.020261
C 4.000889 -0.284133 0.277335
C 3.363951 0.369170 -0.992444
C 3.050499 -1.276315 0.973644
C 2.277568 1.390683 -0.677527
C 5.362427 -0.939910 -0.051222
C 0.924759 0.983423 -0.549527
C 2.610628 2.752252 -0.468495
C -0.074997 1.924537 -0.202939
C 1.603327 3.688652 -0.132252
C 0.260854 3.285195 0.004288
C -1.813504 0.192539 -0.239059
C -3.303127 0.044328 0.007418
C 1.648473 -2.934862 -0.259374
C -3.841776 -1.259204 0.156774
C -4.170177 1.161323 0.061916
C 1.736486 -4.254198 -0.996635
C -5.228589 -1.443884 0.347758
C -5.558192 0.975682 0.258815
C -6.093299 -0.325098 0.399010
H 4.171683 0.525820 1.018260
H 2.970775 -0.436362 -1.642752
H 4.178879 0.861973 -1.555929
H 2.047593 -0.848330 1.141279
H 3.478755 -1.622279 1.930822
H 6.072514 -0.187890 -0.440426
H 5.812187 -1.402208 0.847228
H 5.244227 -1.731955 -0.811422
H 0.669307 -0.068114 -0.706817
H 3.651404 3.080937 -0.575498
H 1.865488 4.741531 0.022012
H -0.530349 3.994201 0.266447
H -1.233668 -0.464036 0.439315
H -1.563232 -0.102321 -1.280949
H -3.173768 -2.129651 0.126706
H -3.747970 2.164783 -0.040332
H 1.763501 -5.081086 -0.263500
H 2.658010 -4.308588 -1.596973
H 0.849779 -4.383673 -1.634803
H -5.632825 -2.456174 0.462353
H -6.221038 1.847587 0.302786
H -7.169435 -0.466757 0.550432


