%chk=000001781.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001781

0 1
 O  -0.9306000      -1.670800      -3.513500    
 O    1.321200      -1.406100      -3.320500    
 C    1.472700       1.486400      -1.186400    
 C    1.883500       1.841300      0.2458000    
 C  -3.5200000E-02   1.611900      -1.421800    
 C    3.383900       1.624700      0.4586000    
 C  -0.5525000       3.046000      -1.254900    
 C    3.854200       1.984000       1.869600    
 C   -2.062600       3.155900      -1.485400    
 C    5.355400       1.836900       2.065200    
 C   -2.812400       2.314000     -0.5431000    
 C    1.383100      -2.740100     -0.8215000    
 C   5.9700001E-02  -2.525800      -1.560100    
 C   -3.379600       1.610500      0.2480000    
 C    1.223000      -3.537400      0.4737000    
 C   -4.017400      0.7305000       1.234400    
 C   0.2577000      -1.805100      -2.870500    
 C   0.3808000      -2.843800       1.457000    
 C   -3.041800     -9.5700003E-02   1.956800    
 C   -1.198700      -1.576700       3.195400    
 C  -0.3230000      -2.276900       2.248000    
 C   -2.221300     -0.7639000       2.525300    
 H    2.006700       2.132200      -1.894000    
 H    1.779600      0.4591000      -1.405200    
 H    1.651000       2.889000      0.4628000    
 H    1.319700       1.225400      0.9566000    
 H  -0.2599000       1.268500      -2.438900    
 H  -0.5480000      0.9284000     -0.7358000    
 H    3.632900      0.5758000      0.2546000    
 H    3.940700       2.229300     -0.2682000    
 H  -3.4299999E-02   3.706900      -1.959900    
 H  -0.3319000       3.414100     -0.2467000    
 H    3.335900       1.348300       2.597300    
 H    3.571300       3.019400       2.094100    
 H   -2.301300       2.863200      -2.514400    
 H   -2.369000       4.201800      -1.370400    
 H    5.633700       2.104300       3.089300    
 H    5.904200       2.491000       1.380300    
 H    5.672700      0.8052000       1.883300    
 H    1.843900      -1.769300     -0.6016000    
 H    2.083100      -3.274100      -1.476600    
 H  -0.4049000      -3.495400      -1.771200    
 H  -0.6247000      -1.924800     -0.9518000    
 H    2.214600      -3.712600      0.9072000    
 H   0.7967000      -4.522400      0.2507000    
 H   -4.584200       1.335800       1.951000    
 H   -4.742000      8.1400000E-02  0.7295000    
 H  -0.5920000     -0.9345000       3.844100    
 H   -1.687100      -2.308900       3.848600    
 H  -0.8306000      -1.210000      -4.373700    


%chk=000001781-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001781

0 1
O 0.001167 -2.440764 -3.295211
O 1.733063 -1.072166 -2.583156
C 1.286355 2.299615 -1.583033
C 1.770341 1.898105 -0.168840
C -0.248214 2.467204 -1.697596
C 3.268517 1.521989 -0.130421
C -0.821680 3.647348 -0.881892
C 3.761904 1.121495 1.279067
C -2.371173 3.767091 -0.988147
C 5.252093 0.717065 1.305544
C -3.076258 2.609366 -0.402412
C 1.934003 -2.527485 -0.063305
C 0.746381 -2.728641 -1.023191
C -3.622914 1.628384 0.109048
C 1.696547 -3.208396 1.314325
C -4.268637 0.446184 0.723682
C 0.916952 -1.987787 -2.332069
C 0.505296 -2.690864 2.016722
C -3.366497 -0.320029 1.614837
C -1.697921 -1.696484 3.252402
C -0.499498 -2.237364 2.571097
C -2.610678 -0.954203 2.353016
H 1.789890 3.240065 -1.892600
H 1.611675 1.514737 -2.294006
H 1.581093 2.720320 0.551680
H 1.168770 1.032682 0.182679
H -0.522916 2.607907 -2.764299
H -0.740483 1.530204 -1.366734
H 3.445088 0.684709 -0.836866
H 3.874791 2.376041 -0.499834
H -0.373984 4.596763 -1.240266
H -0.548358 3.542242 0.184595
H 3.141696 0.281115 1.656003
H 3.592773 1.964898 1.979753
H -2.655555 3.871132 -2.055206
H -2.706479 4.693333 -0.480315
H 5.580417 0.433006 2.322781
H 5.894058 1.551025 0.963726
H 5.439599 -0.143019 0.634685
H 2.109003 -1.446980 0.081819
H 2.855980 -2.943882 -0.510989
H 0.572426 -3.798146 -1.244352
H -0.186222 -2.360978 -0.548797
H 2.592533 -3.056200 1.947383
H 1.593789 -4.303665 1.174251
H -5.160715 0.767680 1.299140
H -4.647082 -0.225220 -0.074023
H -1.377978 -1.026127 4.076062
H -2.252786 -2.527549 3.733748
H 0.116729 -1.908853 -4.129382


