%chk=000012531.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012531

0 1
 O    7.056700      0.5024000     -5.4099999E-02
 O    8.497800      -1.302300     -0.1088000    
 C   -1.701600     -0.4110000      9.6500002E-02
 C   -3.010900      0.3833000      0.1561000    
 C  -0.4514000      0.4723000      0.1087000    
 C   -4.297400     -0.4495000      0.1198000    
 C   0.8250000     -0.3714000      7.2200000E-02
 C   -5.570700      0.3997000      0.1229000    
 C    2.108700      0.4660000      6.9700003E-02
 C   -6.853500     -0.4311000      7.8999996E-03
 C    3.385300     -0.3795000      0.1082000    
 C   -8.157000      0.3692000     -8.6999997E-02
 C    4.665300      0.4551000      3.5500001E-02
 C   -9.408500     -0.5078000     -0.1466000    
 C    5.939700     -0.3768000     -1.2600000E-02
 C   -10.67190      0.3332000     -0.2472000    
 C    8.284500     -9.7400002E-02 -0.1003000    
 C    9.359900      0.9456000     -0.1407000    
 H   -1.700500      -1.027400     -0.8109000    
 H   -1.668100      -1.101700      0.9481000    
 H   -3.012700      0.9921000       1.069100    
 H   -3.027300       1.088300     -0.6849000    
 H  -0.4706000       1.147900     -0.7548000    
 H  -0.4520000       1.097700       1.009400    
 H   -4.285800      -1.077800     -0.7793000    
 H   -4.311100      -1.128900      0.9806000    
 H   0.8376000      -1.041200      0.9412000    
 H   0.8140000      -1.010300     -0.8196000    
 H   -5.608600      0.9976000       1.041400    
 H   -5.531900       1.107300     -0.7145000    
 H    2.101900       1.141100      0.9343000    
 H    2.119100       1.098700     -0.8263000    
 H   -6.912500      -1.102000      0.8744000    
 H   -6.778400      -1.075700     -0.8772000    
 H    3.370900      -1.084600     -0.7321000    
 H    3.395900     -0.9801000       1.025900    
 H   -8.225900       1.038400      0.7795000    
 H   -8.117000       1.008700     -0.9774000    
 H    4.633900       1.104500     -0.8488000    
 H    4.710700       1.135200      0.8958000    
 H   -9.350500      -1.177900      -1.011900    
 H   -9.463300      -1.137300      0.7490000    
 H    6.005900      -1.010500      0.8794000    
 H    5.938800      -1.011900     -0.9061000    
 H   -10.77400      0.9931000      0.6202000    
 H   -10.66080      0.9515000      -1.150500    
 H   -11.55440     -0.3127000     -0.2885000    
 H    9.245100       1.561400      -1.036300    
 H    10.33790      0.4572000     -0.1765000    
 H    9.311500       1.562600      0.7601000    


%chk=000012531-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012531

0 1
O 7.137772 0.540126 0.022052
O 8.569452 -1.299454 0.051950
C -1.736424 -0.433422 0.004458
C -3.032965 0.407443 -0.005245
C -0.450505 0.423593 0.003783
C -4.319105 -0.449340 -0.005162
C 0.845614 -0.417870 0.014089
C -5.615625 0.391585 -0.014735
C 2.130705 0.440086 0.011955
C -6.902082 -0.464959 -0.014502
C 3.425534 -0.403347 0.023087
C -8.198641 0.376045 -0.023709
C 4.705471 0.465500 0.017989
C -9.485327 -0.480982 -0.023354
C 5.969950 -0.392886 0.031568
C -10.775157 0.367920 -0.032702
C 8.402336 -0.058615 0.033591
C 9.487318 0.997454 0.020162
H -1.729369 -1.105316 -0.879385
H -1.735604 -1.094590 0.896386
H -3.040464 1.079090 0.878816
H -3.033853 1.068943 -0.896966
H -0.451444 1.084305 -0.888457
H -0.458046 1.095759 0.887391
H -4.311848 -1.120966 -0.889254
H -4.318374 -1.110933 0.886485
H 0.846458 -1.077805 0.906845
H 0.852215 -1.090606 -0.869028
H -5.622969 1.063317 0.869272
H -5.616508 1.053154 -0.906419
H 2.124095 1.112886 0.894717
H 2.130242 1.099023 -0.881238
H -6.901271 -1.126678 0.877118
H -6.895121 -1.136545 -0.898687
H 3.429511 -1.077107 -0.858922
H 3.425022 -1.060619 0.917468
H -8.207216 1.047663 0.860439
H -8.201074 1.037791 -0.915316
H 4.715610 1.115112 -0.878404
H 4.709785 1.134573 0.899990
H -9.475672 -1.151779 -0.906805
H -9.481810 -1.141722 0.867695
H 6.035838 -1.027888 0.934736
H 6.039669 -1.050560 -0.854942
H -10.822510 1.025378 0.856068
H -10.816488 1.014845 -0.929474
H -11.680225 -0.267215 -0.032012
H 9.391400 1.629407 -0.879713
H 10.474680 0.514217 0.031807
H 9.384821 1.659292 0.897517


