%chk=000111276.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111276

0 1
 O   0.1664000     -0.8173000     -0.8559000    
 O    1.616200      0.7713000      4.8799999E-02
 O   -3.160000     -0.6758000      0.6703000    
 O  -0.6088000       1.946700      -1.195400    
 O    2.275400      -2.704100     -0.8660000    
 O    4.911700      -1.405600      -1.076800    
 O   -3.518500       2.159000      -1.606700    
 O    5.175100      0.6787000      0.9085000    
 O   -4.971100      0.7669000      0.3834000    
 O   -2.491100      -3.250500       1.362900    
 O    1.710500       2.983400       1.677900    
 C  -0.9522000     -0.2096000     -0.2150000    
 C   -1.538400      0.8640000      -1.132100    
 C    1.363700     -0.6235000     -0.1036000    
 C   -1.997000      -1.281700      0.1032000    
 C    2.509100      -1.296000     -0.8604000    
 C    3.857100      -1.008000     -0.1994000    
 C   -2.878200       1.373900     -0.6012000    
 C    4.022500      0.4835000      9.3300000E-02
 C    2.791600       1.034800      0.8168000    
 C   -3.807200      0.2170000     -0.2333000    
 C   -1.472100      -2.300700       1.109700    
 C    2.882500       2.544500       1.015500    
 C   -5.887200     -0.2508000      0.7558000    
 H  -0.6647000      0.2730000      0.7311000    
 H   -1.641500      0.4876000      -2.156600    
 H    1.231600      -1.088400      0.8827000    
 H   -2.292600      -1.823100     -0.8058000    
 H    2.522800     -0.9727000      -1.908000    
 H    3.973600      -1.603400      0.7146000    
 H   -2.718400       2.029700      0.2637000    
 H    4.190800       1.022800     -0.8470000    
 H    2.673300      0.5693000       1.804800    
 H   -4.121500     -0.3232000      -1.136900    
 H   -1.211000      -1.827700       2.062200    
 H  -0.5977000      -2.835000      0.7280000    
 H    2.940800       3.071400      5.7300001E-02
 H    3.747500       2.822300       1.624500    
 H  -0.5435000       2.339400     -0.3089000    
 H    2.254900      -3.010200      5.6699999E-02
 H    5.752500      -1.197500     -0.6345000    
 H   -4.371500       2.455500      -1.245400    
 H    5.031800      0.2097000       1.748400    
 H   -3.266600      -2.768000       1.697000    
 H   0.9477000       2.706900       1.143000    
 H   -6.795900      0.2300000       1.128800    
 H   -5.480000     -0.8726000       1.558700    
 H   -6.155300     -0.8707000     -0.1055000    


%chk=000111276-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111276

0 1
O 0.178966 -0.750681 -0.345770
O 1.858804 0.855404 -0.266750
O -3.416928 -1.008313 0.525816
O -0.694625 2.187392 0.447688
O 2.121629 -2.771580 0.434417
O 4.822129 -2.013999 -0.303420
O -3.326963 2.636777 -0.356590
O 5.575634 0.741833 0.370182
O -5.201301 0.535047 0.271795
O -2.709005 -3.737836 0.417743
O 1.977333 3.488968 0.439709
C -1.023389 -0.271977 0.365205
C -1.505356 1.105036 -0.138006
C 1.438210 -0.453951 0.247178
C -2.059786 -1.386976 0.060720
C 2.476410 -1.498677 -0.191914
C 3.879647 -1.047877 0.265823
C -2.969892 1.358137 0.267727
C 4.231824 0.400472 -0.144297
C 3.114877 1.341222 0.345638
C -3.883931 0.208657 -0.168904
C -1.734961 -2.705190 0.773437
C 3.160030 2.812872 -0.079683
C -6.241843 -0.402108 -0.187367
H -0.823184 -0.205455 1.456011
H -1.427446 1.129158 -1.245217
H 1.365982 -0.414321 1.360283
H -2.082517 -1.555594 -1.037600
H 2.464366 -1.572195 -1.298546
H 3.909454 -1.104317 1.381458
H -3.044853 1.425181 1.373499
H 4.339380 0.473027 -1.239974
H 3.026608 1.290826 1.458343
H -3.851258 0.032606 -1.272280
H -1.720446 -2.530645 1.871380
H -0.750152 -3.074198 0.449841
H 3.212068 2.866544 -1.188695
H 4.039103 3.324526 0.346019
H -1.203156 3.026651 0.279299
H 2.835039 -3.423108 0.210245
H 5.738859 -1.661901 -0.157491
H -4.263834 2.847211 -0.111380
H 5.524704 0.857566 1.355262
H -3.608016 -3.367688 0.616497
H 1.182847 2.897283 0.274534
H -7.197278 0.023249 0.153185
H -6.089499 -1.399131 0.261137
H -6.237185 -0.482727 -1.292989


