%chk=000094003.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094003

0 1
 O  -0.3519000     -0.2255000      0.5961000    
 O    1.440000       2.067400      -1.226300    
 O   -1.604300      0.5214000       2.377200    
 O    2.774100       2.653700      0.5180000    
 C    2.014400     -0.5440000      0.5443000    
 C   0.8420000     -0.1194000       1.379000    
 C    2.716600      0.3799000     -0.2239000    
 C    2.389300      -1.884500      0.5526000    
 C    3.803600     -4.0199999E-02 -0.9905000    
 C    3.476400      -2.304500     -0.2140000    
 C    4.183400      -1.382400     -0.9855000    
 C   -2.660600     -2.6900001E-02  0.3111000    
 C   -1.525100      0.1253000       1.206700    
 C    2.341800       1.787400     -0.2471000    
 C   -3.918600     -0.3387000      0.8268000    
 C   -2.492000      0.1394000      -1.063600    
 C   -5.008000     -0.4843000     -3.2099999E-02
 C   -3.581500     -6.0999999E-03  -1.922400    
 C   -4.839400     -0.3181000      -1.406600    
 H   0.7542000     -0.7710000       2.257900    
 H   0.9581000      0.9049000       1.751000    
 H    1.845500      -2.613600       1.147100    
 H    4.362600      0.6689000      -1.595700    
 H    3.771900      -3.349500     -0.2108000    
 H    5.029700      -1.709500      -1.582400    
 H   -4.066800     -0.4744000       1.895000    
 H   -1.526700      0.3948000      -1.492900    
 H   -5.987400     -0.7277000      0.3693000    
 H   -3.451200      0.1261000      -2.992400    
 H   -5.687800     -0.4309000      -2.075300    
 H    1.192200       3.016600      -1.233900    


%chk=000094003-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094003

0 1
O -0.359851 -0.650658 0.666074
O 2.169445 2.449976 -1.359766
O -1.562618 0.223158 2.464100
O 0.861374 2.026327 0.499621
C 2.061892 -0.731016 0.609066
C 0.862588 -0.635102 1.525784
C 2.463678 0.322154 -0.273586
C 2.819215 -1.926668 0.615822
C 3.589271 0.142418 -1.121522
C 3.945106 -2.095118 -0.219995
C 4.329334 -1.056345 -1.096969
C -2.668651 -0.112298 0.311672
C -1.519864 -0.141162 1.263925
C 1.741829 1.627245 -0.300132
C -3.914391 0.372597 0.787869
C -2.545585 -0.548956 -1.032934
C -5.028774 0.421206 -0.074368
C -3.664174 -0.499684 -1.891561
C -4.906009 -0.015395 -1.415391
H 0.813115 -1.508018 2.200487
H 0.844442 0.290775 2.123501
H 2.513455 -2.740846 1.282934
H 3.873102 0.957641 -1.791578
H 4.512184 -3.031826 -0.190592
H 5.196891 -1.178594 -1.753748
H -3.983302 0.705469 1.828806
H -1.579694 -0.919275 -1.387439
H -5.989192 0.797144 0.294599
H -3.569994 -0.836983 -2.929580
H -5.772656 0.021936 -2.085202
H 1.662333 3.304500 -1.313195


