%chk=000085807.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085807

0 1
 O   -5.237400       1.096400     -7.8199998E-02
 C    3.714500      -1.558800      0.3836000    
 C  -0.2370000      -1.468800      0.8109000    
 C    2.229500      -1.694000      0.1189000    
 C  -0.8466000     -0.2326000      0.1403000    
 C    1.251400      -1.325200      0.9694000    
 C    4.339100     -0.2742000     -0.1790000    
 C   -2.330200     -0.3954000     -0.1080000    
 C    1.868700      -2.346700      -1.192600    
 C    3.825700      0.9676000      0.4952000    
 C   -3.295300      1.2400000E-02  0.7384000    
 C   -2.693000      -1.042600      -1.419100    
 C    3.193700       2.018200     -6.1700001E-02
 C   -4.773400     -9.5899999E-02  0.5432000    
 C    2.705400       3.232300      0.6755000    
 C    2.926200       2.048300      -1.543400    
 C   -6.641300       1.059000     -0.2934000    
 H    4.237500      -2.429100     -3.2800000E-02
 H    3.893000      -1.602300       1.466700    
 H  -0.4850000      -2.380700      0.2564000    
 H  -0.6768000      -1.607100       1.807100    
 H  -0.3365000     -6.2000002E-03 -0.8046000    
 H  -0.6797000      0.6433000      0.7820000    
 H    1.557300     -0.8610000       1.906500    
 H    5.420700     -0.3169000      3.8000001E-03
 H    4.229600     -0.2539000      -1.266000    
 H    2.144500      -3.406200      -1.171100    
 H    2.419900      -1.868400      -2.009900    
 H   0.8111000      -2.277200      -1.456300    
 H    4.002200       1.005100       1.569700    
 H   -2.985800      0.4956000       1.663800    
 H   -3.742900     -0.9373000      -1.700900    
 H   -2.453400      -2.110500      -1.389800    
 H   -2.116600     -0.5880000      -2.232700    
 H   -5.248000     -0.2035000       1.526400    
 H   -5.054700     -0.9749000     -4.5600001E-02
 H    1.618200       3.323600      0.5857000    
 H    2.949100       3.179700       1.741700    
 H    3.169600       4.137200      0.2706000    
 H    3.712900       2.609100      -2.057800    
 H    1.971200       2.548400      -1.743300    
 H    2.837400       1.059400      -1.998500    
 H   -6.904900      0.2333000     -0.9614000    
 H   -7.173200      0.9594000      0.6578000    
 H   -6.942500       1.998400     -0.7648000    


%chk=000085807-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085807

0 1
O -5.348515 1.441440 0.574868
C 3.733103 -1.453619 0.850336
C -0.193711 -1.624287 0.318509
C 2.393093 -1.790327 0.202921
C -0.892164 -0.254201 0.032465
C 1.225155 -1.434272 0.812678
C 4.451191 -0.215970 0.204791
C -2.363495 -0.378096 -0.345030
C 2.485436 -2.512040 -1.131116
C 3.789975 1.098273 0.564973
C -3.324629 0.148181 0.467089
C -2.648096 -1.115605 -1.643355
C 3.039912 1.913675 -0.231235
C -4.817299 0.095653 0.284591
C 2.425609 3.191984 0.318355
C 2.733219 1.646522 -1.694395
C -6.808656 1.462211 0.564949
H 4.415445 -2.325797 0.771386
H 3.591446 -1.249932 1.929238
H -0.220395 -2.253276 -0.589676
H -0.789469 -2.153630 1.090645
H -0.334233 0.244321 -0.788108
H -0.786860 0.387710 0.928069
H 1.304708 -0.909366 1.778508
H 5.498059 -0.205670 0.571688
H 4.507496 -0.353152 -0.890649
H 2.951286 -3.509485 -1.002035
H 3.128775 -1.954921 -1.840780
H 1.505105 -2.658171 -1.613396
H 3.922373 1.402888 1.616106
H -3.015288 0.666979 1.385744
H -3.673202 -0.947226 -2.014105
H -2.515961 -2.209056 -1.523999
H -1.940429 -0.793029 -2.431231
H -5.272242 -0.630431 1.000981
H -5.108962 -0.217845 -0.741056
H 1.320195 3.167589 0.235243
H 2.685162 3.349012 1.379904
H 2.765871 4.078399 -0.253742
H 3.079656 2.487200 -2.328240
H 1.638329 1.564260 -1.848410
H 3.195318 0.719946 -2.071591
H -7.219083 1.192467 -0.432688
H -7.233799 0.766116 1.321273
H -7.105231 2.493877 0.812223


