%chk=000079020.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079020

0 1
 O   -2.286200     -0.1161000     -0.3230000    
 O    3.700300     -0.9539000      0.5917000    
 O  -0.8494000      0.1451000       1.466800    
 C  -2.5300000E-02  0.2666000     -0.7944000    
 C   0.5576000      -1.086600      -1.204900    
 C    1.539500      -1.639900     -0.1811000    
 C    1.014700       1.221100     -0.2636000    
 C    2.583900     -0.6176000      0.2001000    
 C    2.220900      0.8203000      0.1683000    
 C   -1.074700      9.6400000E-02  0.2652000    
 C   0.6507000       2.680700     -0.2776000    
 C   -3.383900     -0.2964000      0.5774000    
 C   -4.648100     -0.5197000     -0.2248000    
 H  -0.4918000      0.7225000      -1.677900    
 H    1.083800     -0.9633000      -2.161200    
 H  -0.2403000      -1.819000      -1.377000    
 H    2.045800      -2.514000     -0.6051000    
 H    1.021100      -1.954200      0.7311000    
 H    2.965500       1.523700      0.5250000    
 H   0.4261000       3.005900      -1.298700    
 H    1.462100       3.312000      9.9900000E-02
 H  -0.2289000       2.864900      0.3473000    
 H   -3.192500      -1.165600       1.216600    
 H   -3.494400      0.5971000       1.201800    
 H   -5.509400     -0.6618000      0.4340000    
 H   -4.842800      0.3337000     -0.8826000    
 H   -4.545800      -1.400000     -0.8681000    


%chk=000079020-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079020

0 1
O -2.322100 -0.105394 -0.316998
O 3.731051 -1.119003 0.539051
O -0.972060 0.363299 1.524468
C -0.018955 0.386877 -0.784848
C 0.498817 -1.018786 -1.220419
C 1.439733 -1.628407 -0.160646
C 1.112591 1.288778 -0.296854
C 2.596128 -0.684259 0.176197
C 2.314819 0.767451 0.100615
C -1.109955 0.237059 0.287147
C 0.826281 2.771081 -0.263672
C -3.474528 -0.354717 0.608699
C -4.667811 -0.725442 -0.264957
H -0.511665 0.856493 -1.658495
H 1.050085 -0.895809 -2.172027
H -0.358918 -1.685375 -1.420069
H 1.860661 -2.592311 -0.495146
H 0.885464 -1.823144 0.780232
H 3.132464 1.425566 0.420088
H 0.513741 3.142655 -1.259269
H 1.702360 3.351883 0.068250
H -0.008059 2.983392 0.434083
H -3.188868 -1.162523 1.306397
H -3.646913 0.563603 1.198417
H -5.550703 -0.917351 0.371543
H -4.914963 0.091947 -0.963594
H -4.460197 -1.635664 -0.852992


