%chk=000145771.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145771

0 1
 O    5.474300      0.9273000     -0.6312000    
 O    3.174300       2.447300      0.3946000    
 O    2.603100      -2.836700      -1.100200    
 O   0.7207000       2.729000     -0.3512000    
 O   0.2611000      -2.758400      1.0500000E-02
 O   -1.788300       2.861400     -0.2173000    
 O   -2.236000      -2.448600      0.1622000    
 O   -4.789900      -2.308700      0.3278000    
 C    4.296400      0.3493000     -5.2299999E-02
 C    3.096600       1.258900     -0.3976000    
 C    4.099900      -1.011900     -0.7224000    
 C    2.837000      -1.722500     -0.2390000    
 C    1.743800      0.5813000     -0.2664000    
 C    1.621800     -0.8213000     -0.2160000    
 C    4.556700      0.2121000       1.453800    
 C   0.5785000       1.370700     -0.2579000    
 C   0.3438000      -1.395300     -8.3700001E-02
 C  -0.6882000      0.7861000     -0.1473000    
 C  -0.8051000     -0.5970000     -5.2299999E-02
 C    5.819700     -0.5898000       1.690600    
 C   -1.890900       1.644100     -0.1284000    
 C   -2.133400      -1.231000      7.7299997E-02
 C   -3.336900     -0.3751000      0.1012000    
 C   -3.219900       1.012700      1.0000000E-03
 C   -4.601700     -0.9622000      0.2248000    
 C   -4.367800       1.813700      2.4100000E-02
 C   -5.743200     -0.1603000      0.2477000    
 C   -5.626500       1.224700      0.1475000    
 H    3.185000       1.580800      -1.444700    
 H    4.974800      -1.664900     -0.6211000    
 H    4.035800     -0.8627000      -1.811800    
 H    2.990900      -2.115200      0.7731000    
 H    3.712000     -0.2409000       1.982400    
 H    4.718100       1.200600       1.900900    
 H    5.638000       1.781700     -0.1976000    
 H    5.701200      -1.641800       1.416600    
 H    6.690600     -0.1844000       1.167300    
 H    6.059000     -0.5760000       2.760200    
 H    3.975400       2.928600      0.1277000    
 H    3.382200      -3.416300      -1.047700    
 H  -0.1220000       3.150100     -0.5766000    
 H  -0.6174000      -3.032100      0.3128000    
 H   -4.303400       2.895800     -5.2099999E-02
 H   -6.733200     -0.5989000      0.3433000    
 H   -6.516700       1.846900      0.1655000    
 H   -5.740000      -2.501300      0.4042000    


%chk=000145771-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145771

0 1
O 5.657382 0.960809 -0.581529
O 3.353567 2.521705 0.236583
O 2.769665 -2.775984 -1.392320
O 0.781863 2.757359 -0.455058
O 0.401920 -2.788202 -0.029645
O -1.682623 2.921814 -0.260327
O -2.051100 -2.586704 0.194871
O -4.700518 -2.365543 0.420864
C 4.407589 0.361273 -0.072159
C 3.233550 1.271747 -0.522487
C 4.260240 -0.984066 -0.800560
C 2.986201 -1.729561 -0.380661
C 1.874309 0.591702 -0.360470
C 1.764840 -0.809037 -0.285659
C 4.476194 0.241753 1.476020
C 0.681100 1.389172 -0.327918
C 0.470281 -1.417313 -0.126660
C -0.602076 0.788648 -0.176092
C -0.714073 -0.631306 -0.068354
C 5.606513 -0.682186 1.973238
C -1.787804 1.623198 -0.143587
C -2.014611 -1.287362 0.096434
C -3.230170 -0.447051 0.142787
C -3.113491 0.983262 0.022422
C -4.545320 -0.990746 0.301933
C -4.250341 1.821422 0.059447
C -5.678619 -0.135800 0.337840
C -5.532358 1.258698 0.217307
H 3.391103 1.484422 -1.604479
H 5.141841 -1.617390 -0.612779
H 4.215741 -0.805357 -1.890560
H 3.126541 -2.206627 0.614815
H 3.499664 -0.103084 1.870370
H 4.615413 1.262358 1.877028
H 5.671472 1.900611 -0.259164
H 5.417434 -1.743712 1.727556
H 6.568648 -0.393948 1.514233
H 5.711261 -0.610012 3.071057
H 2.565410 3.089694 0.009803
H 1.986432 -3.313648 -1.089982
H -0.214389 3.135963 -0.406966
H -0.631792 -3.016189 0.090532
H -4.102332 2.900175 -0.036440
H -6.677867 -0.573581 0.460876
H -6.417848 1.901041 0.247194
H -5.658641 -2.602619 0.522946


