%chk=000007458.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007458

0 1
 I   -6.500600       4.120200     -0.1759000    
 O    7.653600      0.8640000      0.3979000    
 O    6.951700     -0.7271000      -1.116200    
 C   -2.111800      -1.337000      0.2010000    
 C   -3.196400      -2.173500     -0.4901000    
 C  -0.7513000      -1.542800     -0.4714000    
 C   -4.625700      -1.983200      6.6000000E-02
 C   0.3765000     -0.7147000      0.1533000    
 C    1.768300     -0.9053000     -0.4585000    
 C    2.862800     -9.5600002E-02  0.2398000    
 C   -5.071800     -0.5290000      8.3999997E-03
 C    4.240000     -0.3881000     -0.3656000    
 C   -4.776300      -2.660100       1.433800    
 C    5.347400      0.4350000      0.2930000    
 C   -5.576200     -1.0000000E-03  -1.180100    
 C   -4.976800      0.2755000       1.144000    
 C   -5.985400       1.331300      -1.233100    
 C   -5.385900       1.607800       1.091000    
 C    6.720800      0.1060000     -0.2504000    
 C   -5.890100       2.135900     -9.7499996E-02
 C    9.010700      0.6365000      3.7000000E-03
 C    9.916400       1.545300      0.8070000    
 H   -2.039300      -1.610800       1.259100    
 H   -2.357500     -0.2711000      0.1528000    
 H   -2.925800      -3.235900     -0.4371000    
 H   -3.203000      -1.914300      -1.557600    
 H  -0.8277000      -1.286500      -1.535400    
 H  -0.4812000      -2.604900     -0.4210000    
 H   -5.300400      -2.540600     -0.6005000    
 H   0.1090000      0.3478000      9.0000004E-02
 H   0.4307000     -0.9550000       1.222900    
 H    1.732400     -0.6306000      -1.519800    
 H    2.026200      -1.970900     -0.4171000    
 H    2.875000     -0.3382000       1.309100    
 H    2.638600      0.9741000      0.1521000    
 H    4.464800      -1.456900     -0.2597000    
 H    4.222400     -0.1778000      -1.442400    
 H   -5.795300      -2.541600       1.818900    
 H   -4.578400      -3.734700       1.350100    
 H   -4.084800      -2.261700       2.182300    
 H    5.160400       1.501700      0.1267000    
 H    5.356100      0.2395000       1.371400    
 H   -5.653800     -0.6171000      -2.071900    
 H   -4.577500     -9.7999997E-02   2.081300    
 H   -6.375100       1.722700      -2.169400    
 H   -5.300600       2.218300       1.986500    
 H    9.122200      0.8535000      -1.064500    
 H    9.275400     -0.4100000      0.1922000    
 H    9.652400       2.595300      0.6431000    
 H    9.803100       1.352800       1.879000    
 H    10.96410       1.397200      0.5304000    


%chk=000007458-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000007458

0 1
I -6.654990 4.224286 -0.454526
O 7.751602 0.840134 0.433391
O 7.027137 -0.491935 -1.336287
C -2.117488 -1.396422 0.238755
C -3.250504 -2.131970 -0.511410
C -0.750191 -1.543560 -0.467532
C -4.683259 -1.981188 0.103824
C 0.398570 -0.824146 0.274481
C 1.767954 -0.975481 -0.425230
C 2.915464 -0.255391 0.317903
C -5.165416 -0.528576 0.021719
C 4.282217 -0.417610 -0.382465
C -4.766331 -2.592188 1.521911
C 5.413055 0.306476 0.372532
C -5.675435 -0.035801 -1.208220
C -5.097613 0.372492 1.114276
C -6.099190 1.303374 -1.355917
C -5.517146 1.718068 0.990639
C 6.772049 0.150717 -0.291705
C -6.013013 2.174258 -0.248078
C 9.143683 0.769837 -0.110382
C 10.025503 1.581446 0.833100
H -2.030214 -1.788204 1.272439
H -2.368731 -0.320470 0.327646
H -3.011031 -3.214728 -0.559806
H -3.277763 -1.767977 -1.558934
H -0.826399 -1.143458 -1.500224
H -0.502634 -2.621293 -0.569544
H -5.355936 -2.577550 -0.548237
H 0.152845 0.254176 0.370598
H 0.470286 -1.219975 1.309418
H 1.697085 -0.580493 -1.460051
H 2.013482 -2.053812 -0.521007
H 2.980682 -0.647698 1.354775
H 2.670289 0.823859 0.408565
H 4.532260 -1.491891 -0.475418
H 4.223296 -0.028561 -1.417080
H -5.792514 -2.526947 1.926713
H -4.477384 -3.658822 1.491514
H -4.088599 -2.090229 2.235372
H 5.198928 1.389610 0.463698
H 5.496210 -0.066991 1.412358
H -5.750925 -0.710802 -2.070135
H -4.720927 0.032657 2.084717
H -6.492179 1.654899 -2.314224
H -5.456183 2.392605 1.849783
H 9.136340 1.174665 -1.138736
H 9.443509 -0.292631 -0.163374
H 9.693541 2.632895 0.876031
H 9.995840 1.165809 1.854865
H 11.072466 1.560939 0.479096


