%chk=000156224.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156224

0 1
 O    5.411700      -1.367100      0.4126000    
 O   -5.690200     -0.8362000      0.9521000    
 C  -0.3408000      0.1646000     -0.6831000    
 C   0.4197000       1.223000      0.1932000    
 C   0.5747000      -1.110600     -0.7267000    
 C    1.813900      0.6732000      0.2917000    
 C    1.899800     -0.6196000     -0.2177000    
 C   0.4051000       2.614200     -0.4446000    
 C   -1.784900     -0.1051000     -0.2420000    
 C   0.6911000      -1.686000      -2.140200    
 C    2.927500       1.290700      0.8501000    
 C    3.100800      -1.319100     -0.1781000    
 C   -1.001400       3.179800     -0.5125000    
 C   -2.840400      0.1671000      -1.110600    
 C   -2.038400     -0.6231000       1.026900    
 C    4.225800     -0.7001000      0.3687000    
 C    4.139600      0.5995000      0.8805000    
 C   -4.153400     -7.8800000E-02 -0.7091000    
 C   -3.351300     -0.8693000       1.428400    
 C   -4.408900     -0.5970000      0.5605000    
 H  -0.3838000      0.5583000      -1.710100    
 H   4.0000002E-03   1.271700       1.207300    
 H   0.2065000      -1.887800     -4.6700001E-02
 H   0.8480000       2.597800      -1.448200    
 H    1.016200       3.302700      0.1516000    
 H  -0.2972000      -1.961200      -2.523400    
 H    1.137400     -0.9657000      -2.835200    
 H    1.313300      -2.587300      -2.152000    
 H    2.865900       2.290700       1.266700    
 H    3.165800      -2.333600     -0.5592000    
 H   -1.596400       2.692500      -1.287500    
 H   -1.520800       3.090400      0.4468000    
 H  -0.9593000       4.243600     -0.7701000    
 H   -2.658200      0.5652000      -2.105000    
 H   -1.226400     -0.8407000       1.715400    
 H    5.012400       1.080800       1.314200    
 H   -4.972900      0.1341000      -1.390100    
 H   -3.537100      -1.273000       2.420100    
 H    6.081200     -0.7933000      0.8231000    
 H   -5.681600      -1.192800       1.857000    


%chk=000156224-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156224

0 1
O 5.610398 -1.327854 -0.003418
O -5.864613 -0.821739 0.423920
C -0.263297 0.169537 -0.610550
C 0.479055 1.223468 0.296031
C 0.601383 -1.145641 -0.518728
C 1.922588 0.717893 0.279782
C 1.994600 -0.617309 -0.196849
C 0.330669 2.694818 -0.167984
C -1.736457 -0.070769 -0.307780
C 0.495666 -2.036392 -1.771268
C 3.097900 1.382627 0.678515
C 3.223543 -1.293689 -0.286059
C -1.095288 3.270569 -0.030074
C -2.717490 0.024490 -1.329289
C -2.173580 -0.438608 0.991197
C 4.399840 -0.613333 0.109843
C 4.345052 0.717014 0.593443
C -4.081625 -0.227195 -1.076980
C -3.534496 -0.691914 1.265762
C -4.490494 -0.584810 0.226658
H -0.173405 0.534276 -1.656160
H 0.079001 1.155708 1.332215
H 0.241606 -1.733841 0.353733
H 0.670325 2.770918 -1.221010
H 1.024775 3.323548 0.426083
H -0.557582 -2.313413 -1.960590
H 0.881912 -1.508298 -2.662869
H 1.073067 -2.971860 -1.653837
H 3.064935 2.412735 1.051195
H 3.302819 -2.321026 -0.654811
H -1.821066 2.721763 -0.654369
H -1.448659 3.208951 1.016545
H -1.120565 4.333473 -0.334010
H -2.407541 0.303248 -2.344059
H -1.446249 -0.529833 1.807047
H 5.266331 1.232159 0.896700
H -4.834123 -0.151442 -1.867521
H -3.848231 -0.971871 2.280473
H 6.373035 -0.769596 0.288398
H -6.046739 -1.064262 1.365476


