%chk=000104531.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104531

0 1
 O  -0.8236000      -2.140400     -0.2888000    
 C    2.206900     -0.1792000      0.1009000    
 C    1.547300       1.162900      0.4671000    
 C    1.267500      -1.318900      0.5054000    
 C   0.1054000       1.294700      2.3399999E-02
 C    2.518400     -0.2433000      -1.409000    
 C    3.534600     -0.3176000      0.8675000    
 C  -0.6773000      0.2322000     -0.2586000    
 C  -0.1272000      -1.151100     -5.7300001E-02
 C  -0.3598000       2.726900     -4.6900000E-02
 C   -2.089600      0.2872000     -0.7686000    
 C   -3.082000      0.2925000      0.3487000    
 C   -4.020700     -0.6461000      0.5161000    
 H    2.139300       1.976900      2.7600000E-02
 H    1.573200       1.313300       1.554900    
 H    1.169700      -1.380700       1.596400    
 H    1.666000      -2.277900      0.1524000    
 H    2.992900      -1.195900      -1.670900    
 H    1.619800     -0.1447000      -2.026200    
 H    3.205500      0.5589000      -1.701400    
 H    3.373800     -0.2871000       1.951100    
 H    4.029700      -1.266600      0.6327000    
 H    4.225600      0.4934000      0.6112000    
 H   -2.244200       1.186400      -1.376700    
 H   -2.278400     -0.5393000      -1.465600    
 H  -0.1394000       3.238500      0.8965000    
 H   -1.433400       2.832900     -0.2178000    
 H   0.1617000       3.252100     -0.8538000    
 H   -3.047800       1.119400       1.053900    
 H   -4.719700     -0.5822000       1.342900    
 H   -4.108100      -1.488600     -0.1608000    


%chk=000104531-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104531

0 1
O -0.757166 -2.221457 -0.587350
C 2.241434 -0.182979 0.099748
C 1.529653 1.143022 0.488088
C 1.272587 -1.348810 0.436149
C 0.092807 1.272885 -0.001865
C 2.586333 -0.189732 -1.413282
C 3.546366 -0.333941 0.918427
C -0.673860 0.176594 -0.334396
C -0.106032 -1.199511 -0.206175
C -0.417204 2.697110 -0.073429
C -2.122088 0.255188 -0.816157
C -3.098854 0.376515 0.346295
C -4.028249 -0.554789 0.674142
H 2.118855 2.007584 0.118403
H 1.524552 1.239641 1.597217
H 1.120728 -1.387709 1.536525
H 1.690678 -2.325522 0.132214
H 3.048502 -1.151996 -1.701681
H 1.689388 -0.044994 -2.041617
H 3.304982 0.616968 -1.651837
H 3.339077 -0.359069 2.005270
H 4.073579 -1.268879 0.651528
H 4.236601 0.508733 0.722085
H -2.251778 1.112013 -1.505443
H -2.344855 -0.667847 -1.378263
H -0.255853 3.212205 0.894538
H -1.486218 2.769496 -0.324064
H 0.155083 3.273205 -0.828117
H -3.011967 1.288052 0.959041
H -4.702001 -0.418615 1.528257
H -4.128980 -1.484762 0.102048


