%chk=000095039.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095039

0 1
 O   0.5193000       2.034400     -3.9999999E-04
 C    2.761600      0.3049000      8.9999998E-04
 C   -2.239800       1.398800     -7.9999998E-04
 C    1.349900     -0.1924000      5.0000002E-04
 C   -1.164900      0.3576000     -6.0000003E-04
 C   0.2569000      0.8344000       0.000000    
 C    3.001600       1.158400       1.256600    
 C    3.015500       1.160000      -1.252300    
 C    3.735700     -0.8857000      6.0000003E-04
 C   -2.101700       2.274900      -1.256400    
 C   -2.113400       2.281900       1.252400    
 C   -3.622200      0.7239000     -3.9999999E-04
 C    1.032100      -1.496600      5.0000002E-04
 C   -1.420700     -0.9602000     -6.0000003E-04
 C  -0.3503000      -1.941200      9.9999997E-05
 C  -0.6372000      -3.253700      1.9999999E-04
 C   -2.022200      -3.799300     -1.9999999E-04
 H    2.697400      0.6259000       2.165900    
 H    4.069000       1.389100       1.362100    
 H    2.486200       2.122500       1.245200    
 H    2.492600       2.120200      -1.247900    
 H    2.725600      0.6251000      -2.164800    
 H    4.082700       1.397400      -1.343100    
 H    3.637200      -1.510200     -0.8956000    
 H    3.635800      -1.511400      0.8958000    
 H    4.772100     -0.5237000      2.0999999E-03
 H   -2.047300       1.664100      -2.165700    
 H   -2.975500       2.930000      -1.361800    
 H   -1.231100       2.936100      -1.244800    
 H   -1.237100       2.935700       1.248300    
 H   -2.073800       1.674800       2.164900    
 H   -2.984000       2.943400       1.343100    
 H   -3.795100      0.1164000      0.8963000    
 H   -3.794500      0.1151000     -0.8963000    
 H   -4.412000       1.486600     -1.7000000E-03
 H    1.770800      -2.289400      7.9999998E-04
 H   -2.431200      -1.342900     -6.9999998E-04
 H   0.1651000      -3.988700      6.0000003E-04
 H   -1.979300      -4.894300       0.000000    
 H   -2.573800      -3.504600     -0.8986000    
 H   -2.574400      -3.504300      0.8975000    


%chk=000095039-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095039

0 1
O 0.536154 2.108044 -0.000367
C 2.825751 0.298827 0.002830
C -2.303336 1.449385 -0.002660
C 1.353263 -0.169492 0.001367
C -1.174776 0.394685 -0.001232
C 0.257355 0.853854 0.000114
C 3.107246 1.154041 1.277746
C 3.111075 1.151206 -1.273138
C 3.811809 -0.898898 0.005606
C -2.190362 2.342816 -1.277639
C -2.194694 2.342043 1.273234
C -3.710028 0.794312 -0.005169
C 1.004983 -1.502406 0.001575
C -1.435106 -0.958638 -0.001207
C -0.380030 -1.964418 0.000255
C -0.646620 -3.324969 0.000422
C -2.012592 -3.967587 -0.000802
H 2.932538 0.561506 2.195643
H 4.164195 1.482023 1.277450
H 2.462676 2.046278 1.302556
H 2.466923 2.043612 -1.301642
H 2.938738 0.556729 -2.190226
H 4.168146 1.478811 -1.270614
H 3.693386 -1.534050 -0.892591
H 3.691407 -1.531476 0.905354
H 4.846758 -0.511779 0.006203
H -2.281078 1.732551 -2.196000
H -3.008294 3.087949 -1.278700
H -1.227555 2.875828 -1.297828
H -1.232287 2.875608 1.296678
H -2.287846 1.731116 2.190907
H -3.013083 3.086686 1.272321
H -3.879292 0.170574 0.893042
H -3.876897 0.172178 -0.904937
H -4.476250 1.590657 -0.005496
H 1.781655 -2.275578 0.002599
H -2.469378 -1.314818 -0.002107
H 0.217550 -4.004618 0.001554
H -1.936142 -5.066788 -0.000395
H -2.604260 -3.671665 -0.889293
H -2.606102 -3.671141 0.886287


