%chk=000019505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019505

0 1
 O    3.591900      -1.069300       1.107000    
 O    4.432100      -1.162100      -1.042900    
 C   0.1350000      0.9359000      0.1311000    
 C    1.269700     -0.1297000     -0.1091000    
 C   -1.074700      0.1841000      0.8274000    
 C    2.687000      0.4214000     -0.4744000    
 C   0.6759000       2.041200       1.073100    
 C   0.7689000      -1.248000      -1.047500    
 C   -1.530300      -1.019200      1.0200000E-02
 C    3.076100       1.582800      0.4661000    
 C    1.994600       2.646600      0.6009000    
 C   -2.236900       1.126100       1.223200    
 C  -0.4471000      -1.961000     -0.4548000    
 C  -0.3521000       1.597800      -1.185200    
 C   -3.526300      0.3595000       1.512800    
 C   -3.984200     -0.4783000      0.2977000    
 C    2.898600      0.8268000      -1.940700    
 C   -2.824400      -1.280800     -0.2505000    
 C    3.679500     -0.6922000     -0.2003000    
 C   -5.089100      -1.445400      0.7608000    
 C   -4.548200      0.4139000     -0.7800000    
 C   -4.074700      0.4694000      -2.029600    
 C    4.478700      -2.119700       1.504700    
 H    1.378800     -0.6128000      0.8739000    
 H  -0.6989000     -0.2361000       1.773600    
 H   0.8242000       1.625300       2.078600    
 H  -5.7300001E-02   2.849800       1.179400    
 H    1.554700      -1.995900      -1.205100    
 H   0.5198000     -0.8513000      -2.037600    
 H    4.004200       2.055300      0.1180000    
 H    3.299600       1.224200       1.479000    
 H    2.322500       3.399100       1.328100    
 H    1.859900       3.177600     -0.3470000    
 H   -2.445600       1.867400      0.4476000    
 H   -1.955700       1.693100       2.119000    
 H  -0.1209000      -2.552500      0.4108000    
 H  -0.8296000      -2.676700      -1.192500    
 H   0.4556000       2.048400      -1.756600    
 H  -0.8604000      0.8925000      -1.848100    
 H   -1.052700       2.415700     -0.9904000    
 H   -3.355200     -0.2934000       2.380100    
 H   -4.309800       1.067700       1.812600    
 H    3.955600       1.042500      -2.144600    
 H    2.600300      3.5000000E-02  -2.635700    
 H    2.361100       1.735200      -2.211600    
 H   -3.071100      -2.156400     -0.8497000    
 H   -5.936200     -0.9024000       1.197400    
 H   -5.477900      -2.045400     -7.1599998E-02
 H   -4.717100      -2.142600       1.521300    
 H   -5.390600       1.050700     -0.5188000    
 H   -4.542600       1.144100      -2.740800    
 H   -3.245900     -0.1150000      -2.407200    
 H    4.309900      -2.323400       2.565400    
 H    5.518900      -1.809200       1.367600    
 H    4.267500      -3.029100      0.9342000    


%chk=000019505-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019505

0 1
O 3.631145 -1.208989 1.145116
O 4.532490 -1.205541 -0.988802
C 0.143995 0.984576 0.066371
C 1.281417 -0.093564 -0.085317
C -1.076277 0.243564 0.767533
C 2.735379 0.445166 -0.418772
C 0.643356 2.113943 1.016959
C 0.834656 -1.240252 -1.021888
C -1.521707 -0.991079 -0.021044
C 3.094592 1.600055 0.577791
C 2.012110 2.699178 0.608581
C -2.267953 1.184879 1.082748
C -0.413382 -1.949519 -0.440810
C -0.322889 1.585494 -1.288880
C -3.531082 0.394326 1.473112
C -4.022259 -0.513488 0.298981
C 2.962757 0.908198 -1.881331
C -2.830591 -1.282420 -0.259595
C 3.720301 -0.719935 -0.167748
C -5.065946 -1.533275 0.849650
C -4.728014 0.346854 -0.753226
C -4.309769 0.600194 -2.017963
C 4.551550 -2.322068 1.475737
H 1.390303 -0.535872 0.928793
H -0.671385 -0.123328 1.741303
H 0.730862 1.701099 2.045291
H -0.110323 2.922802 1.060416
H 1.650144 -1.981044 -1.140998
H 0.611662 -0.853683 -2.033703
H 4.075714 2.030349 0.295169
H 3.201330 1.175765 1.594187
H 2.313043 3.480793 1.333361
H 1.937070 3.202393 -0.375055
H -2.508665 1.804445 0.198946
H -1.992290 1.877218 1.899952
H -0.086206 -2.510852 0.462400
H -0.806247 -2.699858 -1.153066
H 0.518380 1.921909 -1.913502
H -0.904137 0.852090 -1.875190
H -0.976204 2.461230 -1.123456
H -3.315667 -0.252512 2.348295
H -4.340617 1.089222 1.772750
H 4.044465 1.003490 -2.077738
H 2.566391 0.181819 -2.610012
H 2.495601 1.887043 -2.072578
H -3.073414 -2.180802 -0.848497
H -5.927525 -1.006081 1.302528
H -5.449592 -2.183661 0.042203
H -4.607868 -2.174318 1.625115
H -5.677578 0.789929 -0.406425
H -4.894004 1.231432 -2.697769
H -3.374438 0.178096 -2.403921
H 4.341046 -2.557404 2.528706
H 5.599551 -2.006226 1.339099
H 4.351819 -3.190578 0.825495


