%chk=000019802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019802

0 1
 O    1.423600      0.8473000      0.7108000    
 O    3.563300       1.541000      0.2006000    
 C    3.049700      -1.723800     -0.1800000    
 C    3.154400     -0.7262000      0.9840000    
 C   -3.010400       1.858200     -0.1078000    
 C   -3.713500      0.5041000     -0.2706000    
 C    1.634200      -1.758300     -0.7620000    
 C    4.050800      -1.356200      -1.276800    
 C   -1.519800       1.806900     -0.3696000    
 C    2.779500      0.6871000      0.5920000    
 C  -0.5685000       2.116800      0.5329000    
 C   0.9147000       2.121900      0.3415000    
 C   -3.167000     -0.5461000      0.6565000    
 C   -1.128600       1.404900      -1.768700    
 C   -2.689200      -1.765000      0.3422000    
 C   -2.189000      -2.687000       1.422300    
 C   -2.584000      -2.325700      -1.047400    
 H    3.297700      -2.721400      0.2021000    
 H    4.175400     -0.7027000       1.383700    
 H    2.515000      -1.039800       1.818500    
 H   -3.465700       2.583200     -0.7941000    
 H   -3.198400       2.240900      0.9040000    
 H   -4.775200      0.6406000     -2.8400000E-02
 H   -3.688000      0.1993000      -1.319400    
 H    1.378000     -0.8355000      -1.292000    
 H    1.543500      -2.578900      -1.482300    
 H   0.8917000      -1.926300      2.4499999E-02
 H    3.812800     -0.3987000      -1.751200    
 H    5.067400      -1.295800     -0.8741000    
 H    4.051100      -2.120200      -2.062100    
 H  -0.8975000       2.393900       1.533500    
 H    1.211500       2.377200     -0.6799000    
 H    1.343700       2.886500       1.001100    
 H   -3.192900     -0.2667000       1.709500    
 H  -5.7500001E-02   1.431700      -1.974000    
 H   -1.453000      0.3819000      -1.979600    
 H   -1.609200       2.071000      -2.493700    
 H   -2.772500      -3.613500       1.429400    
 H   -2.262200      -2.241200       2.419900    
 H   -1.138000      -2.939800       1.249500    
 H   -1.534100      -2.506600      -1.299900    
 H   -3.000200      -1.677600      -1.820100    
 H   -3.119800      -3.279200      -1.107300    


%chk=000019802-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019802

0 1
O 1.544680 1.068602 0.776968
O 3.455024 1.457021 -0.502637
C 3.395806 -1.727360 0.227044
C 3.398015 -0.429288 1.102829
C -3.044260 1.932289 0.188323
C -3.808452 0.588096 -0.034779
C 1.971177 -2.091766 -0.253641
C 4.385821 -1.632228 -0.957278
C -1.623510 1.940618 -0.366385
C 2.853284 0.785488 0.371485
C -0.571530 2.205321 0.463133
C 0.880425 2.243334 0.090690
C -3.098046 -0.596430 0.589376
C -1.499207 1.632162 -1.846807
C -2.837736 -1.814860 0.033639
C -2.086775 -2.882350 0.814725
C -3.244167 -2.233141 -1.369618
H 3.745487 -2.535575 0.902977
H 4.438726 -0.204444 1.400732
H 2.793519 -0.599184 2.009992
H -3.634122 2.741807 -0.292003
H -3.017360 2.154065 1.272605
H -4.815125 0.704842 0.420149
H -3.979732 0.428590 -1.114834
H 1.592905 -1.346823 -0.978452
H 1.973541 -3.078415 -0.753042
H 1.255782 -2.128240 0.588385
H 4.108465 -0.810914 -1.641349
H 5.415897 -1.437205 -0.605547
H 4.392746 -2.577282 -1.531821
H -0.782386 2.393487 1.525227
H 1.071537 2.162827 -0.991539
H 1.388547 3.152665 0.462914
H -2.743928 -0.423934 1.618504
H -0.485585 1.801534 -2.243391
H -1.760008 0.573366 -2.038510
H -2.204044 2.250711 -2.435603
H -2.683874 -3.812481 0.898369
H -1.833538 -2.542616 1.833896
H -1.143290 -3.156178 0.300359
H -2.358914 -2.560895 -1.950544
H -3.748749 -1.432472 -1.935064
H -3.933244 -3.100544 -1.331980


