%chk=000131704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131704

0 1
 O   -2.701500       1.194700      -1.094400    
 O   -2.079700       3.659100       2.205900    
 O   -4.263300       2.907900      0.6768000    
 O   0.8976000     -0.4028000     -6.1000001E-02
 O   -3.840500     -0.8110000     -0.2188000    
 O   -1.236300      -4.745000      0.2359000    
 O    1.368100      -4.432500      0.3118000    
 O    6.400000       2.712200     -0.1295000    
 C   -1.562300      0.8951000     -0.2791000    
 C   -1.879100       3.070500      0.9259000    
 C   -1.667900       1.569300       1.092400    
 C   -3.073500       3.348300      1.2500000E-02
 C   -2.956700       2.589300      -1.315600    
 C   -1.453400     -0.6089000     -0.1392000    
 C   -1.928000       3.193700      -2.268000    
 C  -0.2038000      -1.220200     -3.3100002E-02
 C   -2.610600      -1.387800     -0.1174000    
 C  -0.1145000      -2.605400      9.3400002E-02
 C   -2.519100      -2.774600      9.6000005E-03
 C   -1.270600      -3.388900      0.1154000    
 C    1.215600      -3.223800      0.2015000    
 C    2.152800     -0.9817000      4.9199998E-02
 C    2.368500      -2.301300      0.1688000    
 C    3.266400     -1.3000000E-02  1.7000000E-03
 C   -4.968400      -1.682700     -0.1877000    
 C    4.501100     -0.3884000     -0.5336000    
 C    3.090300       1.283100      0.4926000    
 C    5.553000      0.5267000     -0.5776000    
 C    4.142200       2.198100      0.4483000    
 C    5.373600       1.819900     -8.6700000E-02
 H  -0.6798000       1.264800     -0.8128000    
 H  -0.9737000       3.521000      0.5047000    
 H   -2.502600       1.146100       1.667800    
 H  -0.7705000       1.382300       1.695400    
 H   -3.184600       4.426500     -0.1477000    
 H   -3.928300       2.621900      -1.823300    
 H   -2.209100       4.214500      -2.545200    
 H  -0.9245000       3.227200      -1.834400    
 H   -1.857000       2.591700      -3.180200    
 H   -2.907900       3.302700       2.570300    
 H   -5.017600       3.132000      0.1055000    
 H   -3.380500      -3.434200      3.2600001E-02
 H    3.350000      -2.750200      0.2672000    
 H   -5.048500      -2.207000      0.7708000    
 H   -4.974200      -2.367800      -1.042400    
 H   -5.861200      -1.055200     -0.2799000    
 H  -0.3211000      -5.057400      0.3034000    
 H    4.674500      -1.378800     -0.9459000    
 H    2.143700       1.602400      0.9220000    
 H    6.506100      0.2215000      -1.001200    
 H    3.996900       3.203600      0.8338000    
 H    7.175000       2.282100     -0.5300000    


%chk=000131704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131704

0 1
O -2.226999 1.342982 -1.217000
O -3.348126 3.426703 2.337484
O -4.553636 2.337870 0.004534
O 0.997767 -0.467707 -0.119251
O -3.799524 -0.611949 0.184742
O -1.279891 -4.773744 0.051815
O 1.263246 -4.627354 -0.094943
O 6.465581 2.736819 -0.586655
C -1.439605 0.995684 0.004290
C -2.526696 3.052343 1.179542
C -2.027031 1.592260 1.320476
C -3.358864 3.200603 -0.113163
C -2.547973 2.787234 -1.358239
C -1.401818 -0.519297 0.030232
C -1.309855 3.652371 -1.651515
C -0.190307 -1.231335 -0.042893
C -2.590885 -1.317869 0.105136
C -0.102723 -2.648571 -0.030610
C -2.557328 -2.731537 0.108836
C -1.319916 -3.402471 0.043463
C 1.188329 -3.324768 -0.102948
C 2.250641 -1.094926 -0.198952
C 2.357400 -2.473770 -0.193557
C 3.352611 -0.122415 -0.289378
C -5.054489 -1.376931 0.265936
C 4.706484 -0.536980 -0.154408
C 3.088306 1.259708 -0.516983
C 5.759820 0.388258 -0.248870
C 4.132462 2.192264 -0.613575
C 5.472926 1.757969 -0.480929
H -0.410565 1.377639 -0.131108
H -1.690578 3.772830 1.187889
H -2.876647 0.978018 1.661745
H -1.252137 1.541841 2.106227
H -3.746922 4.229378 -0.201452
H -3.222744 2.797536 -2.233359
H -1.610893 4.701367 -1.829904
H -0.580719 3.649346 -0.822380
H -0.804218 3.279777 -2.558886
H -4.236200 3.002745 2.181769
H -4.250283 1.403007 -0.190525
H -3.463621 -3.337096 0.161415
H 3.331177 -2.958129 -0.278512
H -5.070685 -2.017060 1.167023
H -5.198299 -1.991638 -0.640981
H -5.844964 -0.615184 0.332896
H -0.270087 -5.042820 -0.003595
H 4.946839 -1.586298 0.041645
H 2.053059 1.592463 -0.626759
H 6.797152 0.048861 -0.136470
H 3.936109 3.252865 -0.793118
H 7.370418 2.348707 -0.485680


