%chk=000104387.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104387

0 1
 O   -3.681400      0.1455000      0.6058000    
 O   -5.988800      3.5500001E-02  0.6132000    
 C  -0.1010000       2.316400     -0.5731000    
 C   -1.519800       1.737600     -0.5553000    
 C   0.7204000       1.884000      -1.793500    
 C   -2.325700       2.139700      0.6835000    
 C    2.138000       2.460900      -1.788500    
 C   -3.736700       1.563400      0.6664000    
 C    1.560200      -2.898400      -1.243900    
 C    2.461100      -3.118300     -2.4200000E-02
 C   9.1499999E-02  -2.672600     -0.8784000    
 C    3.704000     -8.8000000E-02   2.113900    
 C    2.515200      -1.927700      0.8893000    
 C    2.928000       1.990300     -0.6428000    
 C    4.353900       1.124900       1.443900    
 C    3.648700      -1.283700       1.204700    
 C  -0.7749000      -2.536000      -2.121000    
 C    3.571400       1.605500      0.2954000    
 C   -4.888300     -0.4984000      0.5846000    
 C   -4.675900      -1.980600      0.5199000    
 H  -0.1602000       3.411500     -0.5476000    
 H   0.4063000       2.005100      0.3477000    
 H   -1.452200      0.6443000     -0.6118000    
 H   -2.051900       2.068300      -1.455900    
 H   0.2082000       2.210200      -2.706700    
 H   0.7683000      0.7880000      -1.827600    
 H   -1.800100       1.774700       1.574400    
 H   -2.379600       3.231900      0.7551000    
 H    2.641600       2.171600      -2.718100    
 H    2.090900       3.556100      -1.780900    
 H   -4.262200       1.869500       1.578500    
 H   -4.284200       1.947100     -0.2027000    
 H    1.638000      -3.779400      -1.893100    
 H    1.929400      -2.043800      -1.825100    
 H    3.466800      -3.378800     -0.3760000    
 H    2.097200      -3.980000      0.5483000    
 H  -2.3300000E-02  -1.762300     -0.2807000    
 H  -0.2757000      -3.509900     -0.2739000    
 H    1.581300      -1.591800       1.331500    
 H    2.700400      0.1781000       2.469400    
 H    4.291800     -0.3596000       2.999000    
 H    4.445900       1.930900       2.181400    
 H    5.371500      0.8760000       1.119200    
 H    4.592600      -1.627500      0.7888000    
 H  -0.7266000      -3.440800      -2.735200    
 H   -1.819500      -2.372500      -1.838200    
 H  -0.4522000      -1.686800      -2.732100    
 H   -4.109200      -2.312200       1.393500    
 H   -4.148600      -2.238800     -0.4018000    
 H   -5.645400      -2.486700      0.5214000    


%chk=000104387-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104387

0 1
O -3.393192 -0.105278 0.603204
O -5.684023 -0.518637 0.494279
C -0.017438 2.393605 -0.643303
C -1.413137 1.741423 -0.747732
C 0.883246 2.082426 -1.857808
C -2.318992 2.074348 0.458898
C 2.316340 2.677152 -1.731394
C -3.668720 1.357331 0.435184
C 1.174616 -2.765610 -1.185925
C 2.031964 -3.090252 0.071589
C -0.301551 -2.425008 -0.875893
C 3.716925 -0.163045 2.154008
C 2.260716 -1.895598 0.976540
C 3.090843 2.104541 -0.611829
C 4.484786 0.991822 1.429466
C 3.477569 -1.367624 1.269557
C -1.125625 -2.140140 -2.150310
C 3.729454 1.600435 0.318212
C -4.512868 -0.942358 0.628923
C -4.106230 -2.381305 0.867779
H -0.125440 3.494251 -0.539411
H 0.487430 2.038838 0.277406
H -1.300496 0.642718 -0.821535
H -1.911562 2.072545 -1.683259
H 0.417998 2.485607 -2.780336
H 0.961125 0.984533 -1.987675
H -1.795801 1.821304 1.401973
H -2.515871 3.165726 0.487808
H 2.866001 2.506531 -2.678754
H 2.241437 3.777049 -1.607225
H -4.332596 1.677479 1.258898
H -4.207132 1.501129 -0.520120
H 1.201647 -3.639904 -1.869040
H 1.641438 -1.920466 -1.731414
H 3.012558 -3.493466 -0.248729
H 1.522880 -3.899839 0.637644
H -0.352948 -1.545173 -0.204755
H -0.755954 -3.271098 -0.318288
H 1.365703 -1.422766 1.411064
H 2.754611 0.223771 2.537819
H 4.327176 -0.457417 3.033473
H 4.739829 1.771220 2.175384
H 5.448487 0.596338 1.048764
H 4.377666 -1.831156 0.832513
H -1.138782 -3.019762 -2.821493
H -2.172184 -1.879145 -1.906637
H -0.692618 -1.293756 -2.717001
H -4.204125 -2.612362 1.944457
H -3.062044 -2.555931 0.568498
H -4.783912 -3.052625 0.317223


