%chk=000153001.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153001

0 1
 O    2.948800      -3.573900     -0.3613000    
 O    4.678000      -1.473400      0.3079000    
 O    4.414800       3.328700     -0.8196000    
 O   -6.859000      0.5641000      -1.145400    
 O   -6.008400      0.2634000      0.9464000    
 C   0.2418000       2.418700      0.2197000    
 C    1.341500       2.504600       1.280900    
 C    2.513000      -2.219700     -0.4781000    
 C    2.617800       3.191500      0.7792000    
 C   -1.059200       1.806000      0.7518000    
 C    1.781000      -1.808700      0.8110000    
 C   0.5578000      -2.668500       1.160900    
 C    3.746300      -1.339200     -0.7612000    
 C    3.266700       2.558400     -0.4614000    
 C   -2.184400       1.798700     -0.2873000    
 C  -0.5155000      -2.668800      7.0100002E-02
 C   -3.486000       1.184700      0.2344000    
 C    3.329100      0.1017000     -0.9496000    
 C    3.727100       1.150200     -0.2118000    
 C   -1.747900      -3.463800      0.5019000    
 C   -4.600100       1.160600     -0.8064000    
 C   -2.829800      -3.432300     -0.5659000    
 C   -5.873200      0.6169000     -0.2161000    
 H   0.5807000       1.813800     -0.6282000    
 H   3.5100002E-02   3.424700     -0.1654000    
 H    1.579100       1.500100       1.648600    
 H   0.9656000       3.067700       2.144100    
 H    1.834700      -2.166500      -1.336100    
 H   -1.390200       2.370000       1.632500    
 H  -0.8644000      0.7797000       1.086000    
 H    3.348400       3.226800       1.598700    
 H    2.390700       4.243000      0.5575000    
 H    2.470400      -1.869600       1.662400    
 H    1.448500     -0.7678000      0.7402000    
 H   0.8780000      -3.698200       1.360500    
 H   0.1265000      -2.287800       2.095100    
 H    4.245300      -1.699100      -1.668500    
 H    2.583000       2.604400      -1.315600    
 H   -1.852800       1.239200      -1.170800    
 H   -2.378100       2.826900     -0.6170000    
 H  -0.8044000      -1.636100     -0.1600000    
 H  -0.1199000      -3.109900     -0.8512000    
 H   -3.815800       1.751100       1.114900    
 H   -3.288500      0.1620000      0.5811000    
 H    2.643300      0.2812000      -1.775900    
 H    4.417700       1.004700      0.6145000    
 H   -2.152100      -3.048600       1.432500    
 H   -1.468500      -4.504300      0.7041000    
 H   -4.795400       2.175600      -1.168800    
 H   -4.307100      0.5266000      -1.650100    
 H    3.570700      -3.620900      0.3850000    
 H   -2.469100      -3.867500      -1.503300    
 H   -3.154300      -2.405900     -0.7656000    
 H   -3.702400      -4.006200     -0.2383000    
 H    5.507900      -1.048600      3.0600000E-02
 H    4.113500       4.234000      -1.008100    
 H   -7.694400      0.2092000     -0.7735000    


%chk=000153001-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153001

0 1
O 2.908384 -3.585006 -0.517144
O 4.643938 -1.540191 0.174224
O 4.669664 3.345156 -0.662863
O -6.720327 0.175389 -1.419365
O -6.093973 0.083214 0.813846
C 0.280806 2.479895 0.206407
C 1.392760 2.535327 1.279374
C 2.439686 -2.188860 -0.523827
C 2.691279 3.251116 0.835508
C -1.039541 1.888732 0.750696
C 1.756460 -1.814123 0.809240
C 0.552274 -2.721249 1.153410
C 3.646607 -1.276360 -0.884163
C 3.384833 2.640333 -0.410124
C -2.119820 1.704509 -0.338114
C -0.664943 -2.545512 0.215094
C -3.440370 1.127899 0.217384
C 3.302739 0.189328 -1.032041
C 3.742278 1.186458 -0.225195
C -1.883433 -3.394045 0.644886
C -4.489998 0.913431 -0.889039
C -3.100145 -3.227140 -0.290794
C -5.802232 0.359492 -0.369965
H 0.620052 1.864290 -0.651071
H 0.094603 3.499695 -0.191901
H 1.639658 1.501830 1.595358
H 0.999643 3.051520 2.178605
H 1.714613 -2.145973 -1.355971
H -1.432379 2.542790 1.556489
H -0.829773 0.906200 1.223713
H 3.423815 3.238789 1.667209
H 2.464950 4.318273 0.618722
H 2.515998 -1.864381 1.613320
H 1.421513 -0.758460 0.752592
H 0.883816 -3.777841 1.127194
H 0.232887 -2.509771 2.194478
H 4.041428 -1.652729 -1.854914
H 2.727573 2.755173 -1.297938
H -1.725428 1.031694 -1.128844
H -2.317187 2.680842 -0.828937
H -0.958249 -1.473014 0.187181
H -0.386426 -2.822599 -0.822061
H -3.852154 1.803769 0.990990
H -3.243738 0.164952 0.727761
H 2.659933 0.429866 -1.893490
H 4.394023 0.960180 0.630042
H -2.171929 -3.120118 1.680307
H -1.584622 -4.461437 0.677820
H -4.709803 1.860887 -1.419716
H -4.113624 0.219109 -1.666275
H 3.716347 -3.599311 0.062369
H -2.844802 -3.514819 -1.328395
H -3.445473 -2.175126 -0.306902
H -3.951419 -3.852310 0.035436
H 5.502821 -1.117372 -0.075698
H 4.507088 4.321928 -0.594987
H -7.568785 -0.190719 -1.047919


