%chk=000112805.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112805

0 1
 O    3.501100      0.7519000     -0.6535000    
 O    5.225300       1.294400      0.7853000    
 C   -1.252100       2.009000     -0.2072000    
 C   0.1364000       2.084200      0.4314000    
 C   -2.293800       2.756200      0.6336000    
 C    1.178700       1.359600     -0.4253000    
 C   -3.692100       2.723900      1.1400000E-02
 C    2.577700       1.447100      0.1714000    
 C   0.8585000      -2.428700      0.1519000    
 C   -4.212400       1.353300     -8.3800003E-02
 C    2.220100      -2.309000      0.8422000    
 C  -0.2985000      -1.964800       1.037800    
 C    3.352000      -2.706800     -9.2600003E-02
 C   -4.988700      -1.198900     -0.2172000    
 C   -4.589400      0.2150000     -0.1515000    
 C   -3.940700      -2.053900     -0.9316000    
 C    4.801300      0.7539000     -0.2272000    
 C   -1.591100      -2.022400      0.3417000    
 C   -2.648500      -2.050500     -0.2271000    
 C    5.656200     -1.3400000E-02  -1.189700    
 H   -1.534000      0.9578000     -0.3221000    
 H   -1.217100       2.445100      -1.213100    
 H   0.4291000       3.134300      0.5524000    
 H   0.1082000       1.638200       1.432700    
 H   -1.985300       3.802700      0.7470000    
 H   -2.327500       2.321900       1.641000    
 H   0.8977000      0.3142000     -0.5621000    
 H    1.197100       1.791000      -1.434300    
 H   -4.369900       3.329000      0.6245000    
 H   -3.666400       3.182300     -0.9839000    
 H    2.584000       1.015700       1.178600    
 H    2.880200       2.499000      0.2415000    
 H   0.6940000      -3.476100     -0.1347000    
 H   0.8657000      -1.861300     -0.7861000    
 H    2.377600      -1.284500       1.188700    
 H    2.240600      -2.953000       1.729000    
 H  -0.3419000      -2.591100       1.936800    
 H  -0.1169000     -0.9397000       1.378700    
 H    3.359600      -2.083500     -0.9915000    
 H    4.315800      -2.597900      0.4136000    
 H    3.250300      -3.751300     -0.4044000    
 H   -5.943100      -1.283200     -0.7498000    
 H   -5.153800      -1.579000      0.7983000    
 H   -3.796600      -1.690800      -1.956700    
 H   -4.310100      -3.083200      -1.006500    
 H    5.835100      -1.018400     -0.8032000    
 H    6.606100      0.5121000      -1.320900    
 H    5.175200     -7.7600002E-02  -2.170100    


%chk=000112805-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112805

0 1
O 3.564658 0.918945 -0.086269
O 5.204975 1.981703 1.184033
C -1.265664 2.181316 -0.408683
C 0.095577 2.513476 0.242010
C -2.405893 3.094770 0.089588
C 1.229332 1.584731 -0.252574
C -3.792651 2.730720 -0.516840
C 2.559959 1.900352 0.429211
C 0.849820 -2.733153 -0.270906
C -4.240435 1.369083 -0.163345
C 2.332712 -2.772447 0.160303
C -0.094615 -2.341653 0.901337
C 3.271312 -3.198467 -0.989252
C -4.976212 -1.150436 0.506476
C -4.579291 0.223347 0.150351
C -4.127726 -2.253195 -0.209921
C 4.876496 1.085326 0.373506
C -1.518918 -2.297497 0.520861
C -2.707638 -2.268102 0.185492
C 5.802272 0.070403 -0.262626
H -1.529721 1.126044 -0.196887
H -1.178654 2.268988 -1.512003
H 0.360827 3.570877 0.031855
H 0.000387 2.428381 1.344747
H -2.180113 4.150615 -0.164131
H -2.471628 3.034513 1.193747
H 0.958338 0.529878 -0.053481
H 1.347328 1.683185 -1.348810
H -4.547140 3.466709 -0.174093
H -3.742268 2.825542 -1.620912
H 2.502581 1.795469 1.528812
H 2.918526 2.921399 0.201616
H 0.544618 -3.722977 -0.663330
H 0.719078 -2.009836 -1.099600
H 2.633817 -1.770501 0.527944
H 2.446858 -3.472961 1.013064
H 0.045640 -3.061830 1.733311
H 0.213090 -1.351705 1.297735
H 3.213918 -2.482022 -1.830293
H 4.324556 -3.248305 -0.654601
H 2.996062 -4.196920 -1.378201
H -6.040841 -1.309806 0.242285
H -4.893173 -1.292338 1.601217
H -4.208369 -2.106465 -1.304267
H -4.583815 -3.238034 0.015816
H 5.255068 -0.838820 -0.553899
H 6.617891 -0.173950 0.435369
H 6.252770 0.508450 -1.172360


