%chk=000044351.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044351

0 1
 O    3.382200      -3.375000     -0.8098000    
 C  -0.8420000      0.1912000      2.0800000E-02
 C   0.5829000      6.5899998E-02  4.2599998E-02
 C   -1.414200       1.476900     -4.2800002E-02
 C   -1.690400     -0.9500000      6.1500002E-02
 C    1.431500       1.207200      1.9000000E-03
 C    1.155100      -1.219700      0.1059000    
 C   -2.803700       1.627800     -6.5800004E-02
 C   -3.119900     -0.7838000      3.7300002E-02
 C    2.861000       1.040700      2.5500000E-02
 C   -3.659100      0.5235000     -2.7000001E-02
 C    2.544700      -1.370800      0.1280000    
 C    3.400000     -0.2666000      8.9199997E-02
 C  -0.5877000       2.599400     -8.2999997E-02
 C   -1.059200      -2.209000      0.1245000    
 C   0.8002000       2.466000     -6.1000001E-02
 C   0.3287000      -2.342200      0.1463000    
 C   -3.389800       3.015400     -0.1343000    
 C   -4.052300      -1.852800      7.3799998E-02
 C   -5.050400      0.7252000     -5.2600000E-02
 C    3.793400       2.109800     -1.0700000E-02
 C    4.791300     -0.4685000      0.1134000    
 C    3.115700      -2.724000      0.1938000    
 C   -5.433400      -1.640300      4.8000000E-02
 C   -5.933000     -0.3496000     -1.5600000E-02
 C    5.174500       1.897000      1.4000000E-02
 C    5.673900      0.6062000      7.6099999E-02
 H  -0.9453000       3.619000     -0.1701000    
 H   -1.635600      -3.129800      0.1591000    
 H    1.377600       3.385900     -0.1034000    
 H   0.7222000      -3.354700      0.1978000    
 H   -2.782400       3.779200      0.3560000    
 H   -4.322800       3.115400      0.4268000    
 H   -3.559700       3.305700      -1.175900    
 H   -3.720900      -2.886800      0.1232000    
 H   -5.520100       1.698900     -0.1392000    
 H    3.462000       3.143900     -5.9500001E-02
 H    5.233300      -1.460700      0.1642000    
 H    3.289100      -3.117500       1.210100    
 H   -6.112700      -2.487200      7.5599998E-02
 H   -7.004800     -0.1790000     -4.4599999E-02
 H    5.853900       2.743800     -1.5300000E-02
 H    6.745700      0.4344000      9.6100003E-02


%chk=000044351-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044351

0 1
O 2.632808 -3.962273 0.307519
C -0.851506 0.203803 0.025959
C 0.590718 0.027583 0.060097
C -1.429562 1.542856 -0.006827
C -1.715429 -0.936617 0.024164
C 1.458675 1.169660 0.059259
C 1.165173 -1.308467 0.109031
C -2.840287 1.731263 -0.049125
C -3.153965 -0.757566 -0.018765
C 2.899736 0.999115 0.059763
C -3.708361 0.581731 -0.055774
C 2.590031 -1.492651 0.163672
C 3.467903 -0.334860 0.102211
C -0.510815 2.656430 0.012496
C -1.114708 -2.242482 0.069037
C 0.858086 2.479312 0.044538
C 0.254976 -2.428197 0.112586
C -3.474085 3.111980 -0.089715
C -4.059998 -1.868938 -0.027193
C -5.139247 0.734446 -0.096861
C 3.784096 2.128237 0.005112
C 4.903335 -0.452396 0.046853
C 3.203112 -2.826877 0.348561
C -5.443436 -1.687467 -0.068209
C -5.990888 -0.369051 -0.102841
C 5.169446 1.977362 -0.020412
C 5.732556 0.667351 -0.008181
H -0.897763 3.677719 0.004537
H -1.750432 -3.131683 0.069778
H 1.491966 3.368375 0.061005
H 0.678258 -3.433131 0.142897
H -2.739394 3.927582 -0.097492
H -4.131446 3.273304 0.785547
H -4.101853 3.232911 -0.992553
H -3.669420 -2.889159 -0.002067
H -5.571604 1.738026 -0.123252
H 3.373148 3.139878 -0.028880
H 5.375797 -1.436218 0.022119
H 4.290505 -2.810609 0.577314
H -6.110183 -2.556476 -0.073923
H -7.076713 -0.228432 -0.133996
H 5.820833 2.856455 -0.064313
H 6.819435 0.538574 -0.052774


