%chk=000111691.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111691

0 1
 O    2.702100      -2.533900      0.5687000    
 O    2.013000      -1.207600      -1.188000    
 C   -3.113600     -0.5503000     -0.3011000    
 C   -4.477000     -0.6875000      0.3807000    
 C   -2.022700      -1.283000      0.4829000    
 C   -5.570900      1.9400001E-02 -0.4226000    
 C  -0.6657000      -1.172000     -0.2191000    
 C   -6.964700     -0.1124000      0.1993000    
 C   0.4392000      -1.923000      0.5236000    
 C   -8.061600      0.5740000     -0.6184000    
 C    1.789000      -1.817000     -0.1512000    
 C   -9.405300      0.4034000      2.8100001E-02
 C    6.180900      0.7232000      0.5971000    
 C    5.396900     -0.3959000     -5.6000002E-02
 C    5.607000       2.120000      0.3255000    
 C    4.029800      -2.553300      3.4600001E-02
 C    4.791000      -1.400200      0.6072000    
 C    4.191900       2.268300      0.8118000    
 C    5.351300     -0.3517000      -1.562100    
 C   -10.19040       1.420300      0.4005000    
 C    3.111000       2.666500      0.1148000    
 C    1.766400       2.760800      0.7858000    
 C    3.102100       3.031900      -1.342100    
 H   -2.852000      0.5109000     -0.3920000    
 H   -3.170000     -0.9580000      -1.317800    
 H   -4.430600     -0.2629000       1.390700    
 H   -4.730800      -1.749100      0.4866000    
 H   -1.948900     -0.8642000       1.493700    
 H   -2.293000      -2.340600      0.5888000    
 H   -5.320100       1.083100     -0.5179000    
 H   -5.595200     -0.3923000      -1.439300    
 H  -0.7473000      -1.565300      -1.240300    
 H  -0.3882000     -0.1146000     -0.3145000    
 H   -6.943800      0.3115000       1.211700    
 H   -7.204400      -1.177900      0.3106000    
 H   0.1763000      -2.984800      0.5900000    
 H   0.5368000      -1.518400       1.537500    
 H   -7.818500       1.636300     -0.7411000    
 H   -8.100100      0.1361000      -1.622800    
 H   -9.760500     -0.6121000      0.1836000    
 H    6.228300      0.5604000       1.681900    
 H    7.218400      0.6852000      0.2419000    
 H    5.714300       2.357400     -0.7357000    
 H    6.223100       2.853800      0.8604000    
 H    4.006100      -2.606500      -1.056300    
 H    4.496900      -3.483800      0.3758000    
 H    4.861300      -1.396900       1.694200    
 H    4.058500       2.038500       1.868700    
 H    4.488900      0.2291000      -1.902500    
 H    5.320400      -1.340400      -2.026000    
 H    6.255700      0.1260000      -1.956300    
 H   -9.887600       2.452000      0.2602000    
 H   -11.15610       1.230100      0.8559000    
 H    1.805700       2.479100       1.843300    
 H    1.050000       2.095400      0.2928000    
 H    1.385600       3.785700      0.7292000    
 H    4.081400       2.976800      -1.820000    
 H    2.738000       4.057200      -1.468500    
 H    2.433600       2.360500      -1.891600    


%chk=000111691-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111691

0 1
O 2.890882 -2.584347 0.558852
O 2.254737 -1.237309 -1.240861
C -3.002222 -0.580472 -0.447002
C -4.374134 -0.616914 0.263020
C -1.880569 -1.272814 0.359291
C -5.492148 0.097529 -0.528979
C -0.513774 -1.242321 -0.358585
C -6.864429 0.049487 0.179289
C 0.597278 -1.908139 0.475389
C -7.979761 0.782448 -0.614132
C 1.967803 -1.849396 -0.184285
C -9.337136 0.675789 0.048103
C 6.116438 0.955305 0.514580
C 5.502882 -0.268077 -0.153295
C 5.330201 2.282726 0.238859
C 4.336186 -2.533399 0.097732
C 5.010438 -1.290039 0.607127
C 3.973237 2.313641 0.912301
C 5.456945 -0.240436 -1.672639
C -10.101823 1.721343 0.453000
C 2.740257 2.331928 0.328018
C 1.479454 2.332152 1.179667
C 2.486690 2.325774 -1.169686
H -2.716204 0.474847 -0.638861
H -3.090498 -1.063516 -1.442537
H -4.280829 -0.149412 1.265690
H -4.667589 -1.673048 0.439622
H -1.789325 -0.780982 1.350936
H -2.171259 -2.325395 0.560673
H -5.202952 1.155955 -0.697603
H -5.582051 -0.363448 -1.535168
H -0.592232 -1.748030 -1.340436
H -0.228119 -0.195239 -0.579008
H -6.781479 0.502154 1.187699
H -7.161301 -1.008628 0.335188
H 0.359490 -2.968683 0.685839
H 0.685220 -1.421926 1.467965
H -7.706794 1.848129 -0.742686
H -8.030040 0.340109 -1.632337
H -9.707892 -0.349518 0.211778
H 6.177502 0.799163 1.608821
H 7.154573 1.093408 0.145109
H 5.242825 2.439110 -0.851318
H 5.950665 3.117235 0.626581
H 4.346529 -2.606381 -1.001792
H 4.747732 -3.450754 0.550147
H 5.074807 -1.210440 1.701431
H 4.011334 2.295137 2.013953
H 4.503178 0.199652 -2.018349
H 5.523448 -1.245015 -2.121749
H 6.283938 0.369326 -2.080108
H -9.772954 2.759234 0.314743
H -11.075744 1.571922 0.933067
H 1.710295 2.293101 2.258704
H 0.837318 1.462508 0.931146
H 0.869527 3.237978 0.989436
H 3.396026 2.519088 -1.762540
H 1.735200 3.092680 -1.441729
H 2.082126 1.342521 -1.483169


