%chk=000086128.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086128

0 1
 O    2.347300     -0.1968000     -0.7301000    
 C    2.073900      0.8678000      0.1912000    
 C   0.8127000      0.4739000      0.9868000    
 C  -0.4431000      0.2197000      0.1471000    
 C   -1.613200     -0.2338000       1.031500    
 C   -2.883100     -0.5747000      0.2273000    
 C    3.303900       1.032200       1.086500    
 C    1.858700       2.126800     -0.6494000    
 C   -3.965800      -1.119800       1.162400    
 C    2.602900      -1.409800     -4.4700000E-02
 C   -3.419500      0.6267000     -0.5106000    
 C    2.884800      -2.498700      -1.058000    
 C   -3.559400      0.6864000      -1.840000    
 H   0.5852000       1.308700       1.666300    
 H   0.9898000     -0.3675000       1.664800    
 H  -0.2446000     -0.5503000     -0.6068000    
 H  -0.7207000       1.135700     -0.3841000    
 H   -1.834700      0.5487000       1.769300    
 H   -1.305100      -1.121900       1.598500    
 H   -2.632400      -1.368300     -0.4891000    
 H    3.361800      0.2736000       1.874400    
 H    3.271700       1.997500       1.605300    
 H    4.233800      0.9896000      0.5080000    
 H    1.111800       1.968200      -1.434300    
 H    2.782700       2.403400      -1.171200    
 H    1.548100       2.975400     -3.1500001E-02
 H   -4.249000     -0.3839000       1.923600    
 H   -4.868400      -1.390600      0.6031000    
 H   -3.613800      -2.019200       1.679200    
 H    3.484600      -1.350300      0.5980000    
 H    1.746700      -1.762800      0.5328000    
 H   -3.707000       1.493300      8.0100000E-02
 H    3.088200      -3.453200     -0.5640000    
 H    2.032600      -2.626500      -1.734000    
 H    3.746500      -2.233500      -1.679700    
 H   -3.951100       1.581100      -2.311200    
 H   -3.287300     -0.1476000      -2.477200    


%chk=000086128-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086128

0 1
O 2.424003 -0.302639 -0.664226
C 2.090251 0.861138 0.215089
C 0.787730 0.590239 1.024041
C -0.445060 0.220582 0.171112
C -1.643989 -0.227818 1.034941
C -2.926598 -0.553794 0.213091
C 3.262947 1.173333 1.175523
C 1.913697 2.007621 -0.799478
C -3.998168 -1.219233 1.117746
C 2.714552 -1.581472 -0.001793
C -3.496484 0.696656 -0.434075
C 2.991745 -2.595795 -1.114306
C -3.675162 0.895298 -1.764080
H 0.566260 1.494532 1.627476
H 0.981991 -0.221505 1.756160
H -0.167138 -0.588061 -0.533873
H -0.749364 1.083699 -0.450904
H -1.885884 0.561515 1.778888
H -1.359644 -1.128139 1.619400
H -2.650465 -1.268437 -0.589874
H 3.377095 0.403701 1.960997
H 3.091499 2.141200 1.681722
H 4.209641 1.241909 0.610347
H 1.182735 1.726555 -1.575156
H 2.874779 2.218553 -1.299967
H 1.564927 2.927466 -0.296089
H -4.296725 -0.540307 1.939832
H -4.905956 -1.471736 0.541177
H -3.605541 -2.147849 1.573226
H 3.597870 -1.485868 0.664729
H 1.851086 -1.910396 0.616279
H -3.791291 1.492405 0.271674
H 3.223081 -3.589393 -0.687706
H 2.113279 -2.691613 -1.775992
H 3.848157 -2.267938 -1.728756
H -4.106398 1.823557 -2.156500
H -3.393959 0.131536 -2.500375


