%chk=000082017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082017

0 1
 O   -2.161200      -3.176600      0.7409000    
 C   0.5873000      0.3541000     -1.9600000E-02
 C   3.7400000E-02 -0.9479000     -0.1152000    
 C    2.019300      0.5114000      1.1200000E-02
 C   -1.355300      -1.137200     -0.1476000    
 C   -2.246800     -5.7799999E-02 -8.7600000E-02
 C   -1.729800       1.246700      7.7000000E-03
 C  -0.3342000       1.430800      3.9900001E-02
 C    2.844600     -0.6415000     -5.4900002E-02
 C   0.8826000      -2.059100     -0.1781000    
 C    2.264900      -1.908500     -0.1484000    
 C    2.681800       1.761300      0.1047000    
 C   -3.638900     -0.2487000     -0.1203000    
 C   -2.619000       2.333600      6.8300001E-02
 C    4.244700     -0.5227000     -2.7200000E-02
 C    4.075300       1.865700      0.1314000    
 C   -1.902300      -2.497600     -0.2464000    
 C   -4.508500      0.8400000     -5.9300002E-02
 C   -3.998900       2.130600      3.5000000E-02
 C    4.857000      0.7231000      6.5399997E-02
 H   3.1900000E-02   2.453500      0.1141000    
 H   0.5035000      -3.075500     -0.2542000    
 H    2.885600      -2.801200     -0.2003000    
 H    2.122300       2.691600      0.1595000    
 H   -4.083300      -1.238100     -0.1951000    
 H   -2.242100       3.351800      0.1422000    
 H    4.876100      -1.408100     -7.8000002E-02
 H    4.543900       2.843000      0.2038000    
 H   -2.067200      -2.869700      -1.272000    
 H   -5.582500      0.6800000     -8.5800000E-02
 H   -4.673800       2.980100      8.2500003E-02
 H    5.939900      0.7989000      8.5800000E-02


%chk=000082017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082017

0 1
O -1.407466 -3.728328 -0.275317
C 0.583041 0.291167 -0.020267
C 0.033548 -1.057148 -0.105675
C 2.041138 0.498834 0.021946
C -1.393615 -1.256458 -0.144037
C -2.291439 -0.116120 -0.105649
C -1.718756 1.217411 -0.019746
C -0.310085 1.377071 0.021209
C 2.910440 -0.646222 -0.023451
C 0.964105 -2.170152 -0.147966
C 2.329467 -1.966407 -0.108651
C 2.643753 1.789967 0.106819
C -3.730632 -0.201707 -0.151503
C -2.570924 2.374925 0.022267
C 4.326582 -0.472941 0.016166
C 4.038483 1.944322 0.144977
C -2.000159 -2.608093 -0.213881
C -4.532440 0.939737 -0.109746
C -3.954774 2.246603 -0.020556
C 4.890986 0.806272 0.099431
H 0.072677 2.400848 0.085936
H 0.552479 -3.178164 -0.213515
H 3.007278 -2.828138 -0.142985
H 2.022446 2.689868 0.144457
H -4.231391 -1.169511 -0.224258
H -2.104582 3.364919 0.088112
H 4.967908 -1.361400 -0.019576
H 4.472317 2.948062 0.210410
H -3.111074 -2.620035 -0.206341
H -5.622309 0.834036 -0.147007
H -4.601055 3.129695 0.011440
H 5.978353 0.933086 0.129358


