%chk=000031777.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031777

0 1
 O   -5.500500     -5.7000001E-03  -1.319000    
 C  -0.2548000     -0.4628000      0.1443000    
 C   0.5403000      0.8055000      0.5817000    
 C   -1.768900     -0.4131000      0.5703000    
 C    1.995300      0.6741000      0.2286000    
 C   0.5054000      -1.727800      0.6029000    
 C    2.599200     -0.4900000     -5.1800001E-02
 C  -0.1189000       2.047500     -3.2000002E-02
 C    4.050300     -0.3033000     -0.4231000    
 C    1.901100      -1.810600     -3.6899999E-02
 C   -2.374300      0.9224000      0.1182000    
 C    2.941900       1.825700      0.1381000    
 C   -1.572800       2.169000      0.4141000    
 C   -2.510800      -1.593600     -0.1224000    
 C    4.306000       1.134200      8.8699996E-02
 C   -1.942700     -0.5419000       2.099600    
 C   -4.025200      -1.453000     -0.1116000    
 C   -3.561500       1.036800     -0.5006000    
 C    4.233700     -0.3863000      -1.944600    
 C    4.993800      -1.289300      0.2728000    
 C   -4.436400     -0.1378000     -0.7175000    
 H  -0.2424000     -0.4791000     -0.9585000    
 H   0.5010000      0.9040000       1.674400    
 H  -4.0500000E-02  -2.640400      0.3444000    
 H   0.6146000      -1.719900       1.694800    
 H  -6.7500003E-02   2.004200      -1.128100    
 H   0.4138000       2.956000      0.2738000    
 H    1.806700      -2.172100      -1.067700    
 H    2.488900      -2.551500      0.5154000    
 H    2.759400       2.405700     -0.7725000    
 H    2.874300       2.488200       1.006200    
 H   -2.013600       3.049500     -6.9399998E-02
 H   -1.607900       2.362800       1.493500    
 H   -2.250100      -2.547700      0.3504000    
 H   -2.184900      -1.666800      -1.169500    
 H    5.014200       1.689700     -0.5364000    
 H    4.727900       1.116000       1.103300    
 H   -1.367800      0.2097000       2.649200    
 H   -2.990100     -0.4160000       2.397600    
 H   -1.622700      -1.526300       2.457300    
 H   -4.433200      -1.516300      0.9019000    
 H   -4.464300      -2.261800     -0.7063000    
 H   -3.951200       1.998200     -0.8186000    
 H    3.583800      0.3215000      -2.472300    
 H    5.267700     -0.1580000      -2.226800    
 H    4.001100      -1.390000      -2.318500    
 H    4.833300      -1.303200       1.357100    
 H    4.847900      -2.310900     -9.5700003E-02
 H    6.041000      -1.020000      9.4200000E-02


%chk=000031777-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031777

0 1
O -5.612644 -0.028975 -1.344427
C -0.248385 -0.446624 0.176085
C 0.530569 0.828574 0.615314
C -1.778658 -0.415904 0.571793
C 2.005944 0.684094 0.280362
C 0.508864 -1.713136 0.654811
C 2.614707 -0.497242 -0.022529
C -0.113135 2.083034 -0.023755
C 4.088634 -0.306426 -0.420628
C 1.892662 -1.826313 -0.035038
C -2.385292 0.921797 0.102684
C 2.979504 1.854405 0.186465
C -1.599691 2.188566 0.394793
C -2.502802 -1.599442 -0.144034
C 4.367721 1.152237 0.089713
C -1.970666 -0.537135 2.117425
C -4.040908 -1.481784 -0.150056
C -3.602779 0.999690 -0.527199
C 4.231433 -0.394826 -1.969703
C 5.041464 -1.332327 0.241547
C -4.500980 -0.151436 -0.742539
H -0.222793 -0.453597 -0.937634
H 0.435957 0.945029 1.720172
H -0.075401 -2.629172 0.451635
H 0.660905 -1.658323 1.750911
H -0.034251 2.018820 -1.127478
H 0.423115 2.998530 0.289719
H 1.768264 -2.184804 -1.079887
H 2.499743 -2.600490 0.476648
H 2.767755 2.473694 -0.710502
H 2.919826 2.539087 1.055710
H -2.086176 3.052217 -0.093959
H -1.633133 2.383991 1.488766
H -2.215283 -2.554306 0.333368
H -2.148213 -1.643024 -1.193948
H 5.076763 1.691192 -0.564711
H 4.818966 1.098455 1.098783
H -1.449650 0.267448 2.665631
H -3.040066 -0.483434 2.388804
H -1.576392 -1.502938 2.480203
H -4.440936 -1.546774 0.882616
H -4.509101 -2.303938 -0.719691
H -3.987554 1.968928 -0.871456
H 3.611151 0.372340 -2.468640
H 5.284218 -0.240988 -2.274354
H 3.914303 -1.386095 -2.345502
H 4.917036 -1.339836 1.340448
H 4.859415 -2.357622 -0.132755
H 6.095570 -1.079716 0.019021


