%chk=000090978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090978

0 1
 O  -0.8425000       2.832200     -0.2422000    
 C   0.4775000     -0.6776000     -2.5400000E-02
 C  -0.4804000      0.4627000     -0.5329000    
 C   -1.549500      -1.336700      0.7030000    
 C   -1.885600      2.9999999E-02  3.0999999E-02
 C  -0.1717000      -1.063300       1.316400    
 C    1.984500     -0.3064000      1.6500000E-02
 C   0.1557000      -1.950100     -0.8703000    
 C   -1.194100      -2.421500     -0.3216000    
 C    2.152700       1.065600      0.7050000    
 C  -4.7600001E-02   1.889900     -0.1948000    
 C   -2.493600      0.9545000       1.111100    
 C   -2.919900     -8.0200002E-02  -1.101000    
 C    1.418300       2.184000     -7.4999998E-03
 C    2.818500      -1.327700      0.8232000    
 C    2.577900     -0.2554000      -1.410400    
 H  -0.4857000      0.4427000      -1.631900    
 H   -2.301700      -1.674100       1.421200    
 H  -0.1661000     -0.2608000       2.058000    
 H   0.2588000      -1.962400       1.771600    
 H   0.8966000      -2.744200     -0.7352000    
 H   9.6299998E-02  -1.733800      -1.942400    
 H   -1.942800      -2.565600      -1.103600    
 H   -1.068500      -3.387800      0.1824000    
 H    3.216600       1.330000      0.7640000    
 H    1.797200       1.008300       1.741900    
 H   -3.345900      0.4663000       1.599300    
 H   -2.877600       1.885500      0.6813000    
 H   -1.777600       1.217600       1.895200    
 H   -2.545400     -0.6499000      -1.957000    
 H   -3.186900      0.9128000      -1.480800    
 H   -3.837400     -0.5641000     -0.7486000    
 H    1.854200       2.384700     -0.9912000    
 H    1.510100       3.101500      0.5853000    
 H    2.738300      -2.339200      0.4142000    
 H    3.881700      -1.058800      0.8104000    
 H    2.511800      -1.363100       1.873900    
 H    1.979200      0.3626000      -2.086700    
 H    3.594700      0.1539000      -1.398500    
 H    2.639300      -1.255500      -1.853800    


%chk=000090978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090978

0 1
O -0.872492 2.799041 -0.643111
C 0.509297 -0.717913 -0.022707
C -0.471086 0.402439 -0.559568
C -1.572308 -1.370998 0.710001
C -1.908817 0.014602 0.046215
C -0.173557 -1.108936 1.329625
C 2.016002 -0.302701 0.027257
C 0.189636 -1.997261 -0.873105
C -1.217634 -2.454772 -0.347662
C 2.130950 1.071778 0.752228
C -0.060766 1.867042 -0.374149
C -2.422624 0.989808 1.141502
C -2.986547 -0.048860 -1.061075
C 1.373808 2.204985 0.034011
C 2.862035 -1.331182 0.824612
C 2.601137 -0.201401 -1.410675
H -0.552287 0.301388 -1.663638
H -2.359166 -1.687789 1.416679
H -0.165164 -0.305749 2.085155
H 0.263652 -2.018508 1.779569
H 0.947727 -2.783962 -0.704975
H 0.183198 -1.776300 -1.955891
H -1.969593 -2.542382 -1.149756
H -1.151552 -3.443513 0.143015
H 3.200780 1.346653 0.841472
H 1.747825 0.966079 1.786433
H -3.355691 0.585828 1.578812
H -2.639190 1.982649 0.715089
H -1.700165 1.131455 1.965331
H -2.684867 -0.690511 -1.908600
H -3.170658 0.964917 -1.460138
H -3.942461 -0.439265 -0.661857
H 1.904673 2.481330 -0.900779
H 1.341658 3.130147 0.639303
H 2.773366 -2.351596 0.409257
H 3.931700 -1.049673 0.789465
H 2.560534 -1.367548 1.887212
H 1.992164 0.438478 -2.074718
H 3.624676 0.218944 -1.381705
H 2.661207 -1.200139 -1.879036


