%chk=000104389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104389

0 1
 O  -0.2067000       2.503200     -0.3171000    
 O   0.2366000      -2.261900     -0.2306000    
 O    3.092200     -0.8917000     -0.5656000    
 O   -3.652200     -0.4041000      -1.018800    
 O   8.7099999E-02   1.493700       1.724900    
 O   0.3508000      -1.141500       1.770400    
 O    3.018100       1.399900     -0.3032000    
 O   -2.580100     -0.1895000       1.010700    
 C  -1.1000000E-03  0.1189000     -0.3084000    
 C    1.162300      0.2312000      -1.327900    
 C   -1.335900     -4.4399999E-02  -1.087300    
 C  -3.9799999E-02   1.426000      0.5085000    
 C   0.2172000      -1.141600      0.5530000    
 C    2.520200      0.3422000     -0.6668000    
 C   -2.564900     -0.2146000     -0.2117000    
 C  -0.2290000       3.781200      0.3261000    
 C   0.4291000      -3.500600      0.4596000    
 C    4.395300     -0.9207000      2.4400000E-02
 C   -4.899200     -0.5856000     -0.3402000    
 H    1.180700     -0.6307000      -2.007900    
 H    1.048800       1.104600      -1.982600    
 H   -1.511500      0.8330000      -1.722200    
 H   -1.282600     -0.9220000      -1.744000    
 H  -0.3686000       4.545900     -0.4426000    
 H   0.7217000       3.964900      0.8356000    
 H   -1.063800       3.835700       1.031300    
 H   0.4212000      -4.306100     -0.2795000    
 H  -0.3854000      -3.668300       1.170700    
 H    1.396700      -3.502300      0.9704000    
 H    4.735400      -1.959500      4.6100002E-02
 H    4.354300     -0.5434000       1.050700    
 H    5.096500     -0.3336000     -0.5762000    
 H   -5.678900     -0.7258000      -1.093500    
 H   -5.139700      0.3014000      0.2535000    
 H   -4.859000      -1.476600      0.2937000    


%chk=000104389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104389

0 1
O -0.038264 2.310114 0.037443
O -0.958509 -1.853208 0.686124
O 3.694752 -0.296844 -1.323436
O -3.322872 -0.980856 -1.248683
O -0.072732 0.843953 1.851510
O 1.332790 -2.023063 0.346107
O 2.840191 0.900533 0.482377
O -2.855042 0.774063 0.207919
C 0.110444 -0.029722 -0.483081
C 1.358855 0.222563 -1.379058
C -1.147620 0.014831 -1.414443
C -0.004734 1.052980 0.627298
C 0.258719 -1.395976 0.216305
C 2.667216 0.310289 -0.607380
C -2.490157 -0.006790 -0.698554
C -0.189329 3.440918 0.983560
C -0.918536 -3.096384 1.494410
C 5.027166 -0.267811 -0.671910
C -4.677595 -1.065782 -0.651647
H 1.446924 -0.568808 -2.141292
H 1.216255 1.190875 -1.893846
H -1.101395 0.967937 -1.973741
H -1.107752 -0.816698 -2.137032
H -0.187224 4.340411 0.352102
H 0.653761 3.446085 1.693839
H -1.140242 3.336750 1.531665
H -1.969658 -3.310786 1.730607
H -0.332524 -2.917701 2.410599
H -0.461020 -3.914642 0.913900
H 5.705036 -0.737551 -1.398010
H 4.991977 -0.840776 0.269444
H 5.327911 0.771120 -0.455345
H -5.178039 -1.873681 -1.203338
H -5.211233 -0.108162 -0.774109
H -4.601719 -1.300884 0.423196


