%chk=000226707.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226707

0 1
 O   0.1949000      -2.830100      4.5100000E-02
 O    3.616300      0.4114000     -2.2000000E-02
 C   -1.953400     -0.8798000     -2.7500000E-02
 C   -1.032700       2.038500      2.3399999E-02
 C   -2.860300      0.3204000     -0.3789000    
 C   -2.462800       1.575300      0.3798000    
 C  -0.4708000     -0.4858000     -2.0500001E-02
 C  -4.4700000E-02  0.8652000      1.1400000E-02
 C   -2.326200      -1.429400       1.367300    
 C   -2.253700      -1.976000      -1.077700    
 C   -1.028100       2.703900      -1.370800    
 C  -0.6459000       3.107600       1.073100    
 C   0.5105000      -1.502400     -7.0000002E-03
 C    1.342300       1.134800     -6.5000001E-03
 C    2.289200      0.1124000     -1.2800000E-02
 C    1.872600      -1.208300     -4.8000002E-03
 C    1.281700      -3.751300      5.2999999E-02
 C    3.971200       1.793500     -2.4700001E-02
 H   -3.908400      8.1900001E-02 -0.1558000    
 H   -2.823300      0.5218000      -1.457000    
 H   -3.184300       2.373100      0.1605000    
 H   -2.545100       1.387600       1.457800    
 H   -2.085300     -0.7175000       2.164500    
 H   -3.398500      -1.648600       1.428400    
 H   -1.796600      -2.358700       1.603300    
 H   -1.932400      -2.976400     -0.7771000    
 H   -3.334900      -2.060100      -1.246000    
 H   -1.790700      -1.742000      -2.043600    
 H  -5.2900001E-02   3.148300      -1.602600    
 H   -1.247400       1.986100      -2.168600    
 H   -1.771800       3.507000      -1.427700    
 H  -0.5203000       2.660300       2.066200    
 H   0.2852000       3.627300      0.8243000    
 H   -1.422300       3.878400       1.150100    
 H    1.636700       2.177600     -2.7799999E-02
 H    2.673900      -1.937900      2.2000000E-03
 H   0.8413000      -4.754300      7.9200000E-02
 H    1.889400      -3.664100      0.9606000    
 H    1.870300      -3.703600     -0.8701000    
 H    3.631300       2.299400      0.8855000    
 H    3.627300       2.296100     -0.9352000    
 H    5.065100       1.845100     -2.7200000E-02


%chk=000226707-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226707

0 1
O 0.155955 -2.823200 0.174904
O 3.697494 0.445268 -0.080009
C -1.962690 -0.919470 -0.066961
C -1.059437 2.060521 0.045311
C -2.871789 0.309671 -0.363103
C -2.473479 1.554197 0.436036
C -0.475087 -0.488055 -0.002832
C -0.059874 0.876966 -0.000986
C -2.395968 -1.560417 1.287067
C -2.218859 -1.933760 -1.223557
C -1.103958 2.759897 -1.347313
C -0.633346 3.111230 1.112554
C 0.568646 -1.477583 0.062547
C 1.323705 1.215707 -0.038549
C 2.308876 0.214953 -0.035372
C 1.934924 -1.144284 0.036474
C 1.187931 -3.856872 0.251739
C 4.143371 1.836905 -0.143617
H -3.918631 0.023984 -0.140699
H -2.832765 0.537811 -1.446712
H -3.203025 2.371910 0.271972
H -2.490083 1.324271 1.520336
H -2.330630 -0.830978 2.115238
H -3.443820 -1.911479 1.219290
H -1.755839 -2.422253 1.535549
H -1.730854 -2.901032 -1.035781
H -3.309096 -2.099511 -1.326457
H -1.843582 -1.532889 -2.183946
H -0.102206 3.125586 -1.637776
H -1.446185 2.070585 -2.139232
H -1.792239 3.626319 -1.318887
H -0.473521 2.634120 2.096561
H 0.292631 3.647581 0.837636
H -1.432062 3.869694 1.222139
H 1.611092 2.269795 -0.059566
H 2.725794 -1.896532 0.071131
H 0.635966 -4.805002 0.339097
H 1.833765 -3.717849 1.140581
H 1.814986 -3.872814 -0.660823
H 3.823234 2.405496 0.751716
H 3.765048 2.340937 -1.054722
H 5.242005 1.787273 -0.177178


