%chk=000130796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130796

0 1
 O   0.1062000      0.2043000      0.2010000    
 O   -2.078300       1.021300      0.1330000    
 O  -0.8974000      -2.433600     -5.2000000E-03
 O   -3.623600      -2.661800       1.088800    
 O   -5.341700     -0.6316000     -4.3299999E-02
 O   -3.594700       3.173200     -0.6582000    
 O    5.078800     -0.7767000       1.415500    
 C    3.030100       1.067600      0.5401000    
 C   0.8366000      0.8893000     -0.8101000    
 C    1.887000       1.812100     -0.2072000    
 C    1.478000     -0.1310000      -1.744400    
 C   -1.230500     -7.0299998E-02 -0.2170000    
 C   -1.688800      -1.350200      0.4819000    
 C    3.458500     -0.2028000     -0.2046000    
 C   -3.165100      -1.636200      0.2065000    
 C   -4.022800     -0.3926000      0.4411000    
 C    2.770900     -0.7450000      -1.235800    
 C   -3.430500      0.8197000     -0.2815000    
 C    4.198600       2.077200      0.6512000    
 C    2.578200      0.6981000       1.969900    
 C   -4.203000       2.097200      3.2499999E-02
 C    3.144900      -1.986600      -2.011200    
 C    4.708700     -0.8414000      0.2568000    
 H   0.1489000       1.523100      -1.387300    
 H    2.314300       2.409300      -1.025200    
 H    1.400800       2.522400      0.4740000    
 H    1.706400      0.3580000      -2.700600    
 H   0.7652000     -0.9353000      -1.959200    
 H   -1.266400     -0.2250000      -1.304400    
 H   -1.515500      -1.286400       1.563400    
 H   -3.299100      -2.019800     -0.8125000    
 H   -4.091100     -0.2073000       1.521000    
 H   -3.445800      0.6736000      -1.370100    
 H    4.623600       2.301100     -0.3344000    
 H    3.854900       3.023100       1.087100    
 H    5.012900       1.716300       1.287200    
 H    1.895600     -0.1583000       1.976000    
 H    3.416700      0.4490000       2.627700    
 H    2.058100       1.538000       2.445500    
 H   -4.164800       2.323400       1.103300    
 H   -5.246800       2.030700     -0.2872000    
 H    3.434600      -1.716600      -3.031900    
 H    2.290000      -2.669900      -2.066000    
 H    3.960000      -2.561200      -1.567800    
 H    5.285600      -1.401100     -0.4941000    
 H   3.3399999E-02  -2.219800      0.1787000    
 H   -4.565900      -2.809700      0.8986000    
 H   -5.924000      5.1500000E-02  0.3291000    
 H   -4.097500       3.976200     -0.4392000    


%chk=000130796-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130796

0 1
O 0.112855 0.209748 0.270557
O -2.074135 1.044530 0.021005
O -0.893398 -2.501267 0.427041
O -3.605084 -2.518998 1.564820
O -5.346123 -0.830766 0.080323
O -3.905789 2.748420 -1.682111
O 5.299206 -0.924457 1.175157
C 3.075923 0.986678 0.677242
C 0.846092 1.090729 -0.692349
C 1.927838 1.854475 0.072893
C 1.480325 0.246697 -1.807604
C -1.208121 -0.140566 -0.142537
C -1.667561 -1.305229 0.759953
C 3.438616 -0.199486 -0.245664
C -3.146455 -1.615896 0.512232
C -4.020185 -0.340699 0.511025
C 2.729140 -0.516623 -1.391922
C -3.447341 0.741161 -0.436851
C 4.311862 1.925453 0.842567
C 2.655735 0.456162 2.083406
C -4.216506 2.056556 -0.425850
C 3.057780 -1.637369 -2.368884
C 4.588869 -1.056294 0.134580
H 0.108023 1.800671 -1.112804
H 2.364880 2.577336 -0.646127
H 1.461069 2.444495 0.882320
H 1.737260 0.911706 -2.660429
H 0.742170 -0.473649 -2.215844
H -1.241669 -0.456510 -1.213941
H -1.523073 -1.001893 1.817276
H -3.247505 -2.092461 -0.488481
H -4.065222 0.061839 1.545519
H -3.435671 0.348358 -1.477594
H 4.690012 2.266183 -0.140222
H 4.017814 2.820076 1.424222
H 5.128130 1.412952 1.374717
H 1.736229 -0.147243 2.013964
H 3.464382 -0.143881 2.530984
H 2.449656 1.312682 2.753135
H -3.901075 2.645667 0.459894
H -5.309253 1.854782 -0.360855
H 2.858045 -1.293849 -3.401771
H 2.390989 -2.505845 -2.195891
H 4.096903 -1.995759 -2.333085
H 4.818325 -1.895589 -0.561395
H 0.043819 -2.331323 0.702855
H -4.556682 -2.722157 1.369756
H -6.046448 -0.178203 0.328593
H -4.190453 3.694155 -1.622327


