%chk=000017311.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017311

0 1
 O    4.910500      -1.175800     -0.4589000    
 C    1.878500      0.7138000      0.3083000    
 C    2.533700     -0.5581000     -0.2730000    
 C   0.4475000      0.9412000     -0.1990000    
 C  -0.4256000     -0.2942000      0.1865000    
 C   -1.923200     -0.1209000     -0.2598000    
 C    3.971500     -0.4382000      0.3210000    
 C    1.693000      -1.765900      0.1749000    
 C   0.2215000      -1.631900     -0.2586000    
 C   -2.460200       1.211400      0.3496000    
 C    2.920400       1.798500      5.5900000E-02
 C  -0.1491000       2.234400      0.3756000    
 C    4.273900       1.081100      0.2132000    
 C   -1.607600       2.428000     -2.8899999E-02
 C   -2.795800      -1.280900      0.3128000    
 C    2.615900     -0.5563000      -1.828000    
 C   -2.049300     -0.1315000      -1.806400    
 C   -3.942200       1.455200      1.6200000E-02
 C    4.127400     -0.9206000       1.768800    
 C   -4.284100      -1.010400      0.3267000    
 C   -4.787300      0.2268000      0.1785000    
 C   -5.169400      -2.205500      0.5245000    
 H    1.802900      0.6066000       1.401200    
 H   0.4692000       1.052200      -1.288000    
 H  -0.4347000     -0.3299000       1.288000    
 H    1.705300      -1.862900       1.267000    
 H    2.112200      -2.696600     -0.2254000    
 H   0.1562000      -1.751300      -1.343700    
 H  -0.3314000      -2.473300      0.1744000    
 H   -2.398500       1.114700       1.445600    
 H    2.827500       2.626900      0.7659000    
 H    2.827200       2.217200     -0.9525000    
 H   0.4286000       3.101000      3.3799998E-02
 H  -7.9499997E-02   2.221600       1.470900    
 H    4.919600       1.305100     -0.6441000    
 H    4.796200       1.450800       1.103200    
 H   -1.997400       3.322900      0.4714000    
 H   -1.669300       2.624400      -1.105600    
 H   -2.493400      -1.499300       1.345700    
 H   -2.610100      -2.192900     -0.2688000    
 H    3.249400      0.2498000      -2.212100    
 H    3.038000      -1.500100      -2.192800    
 H    1.641000     -0.4443000      -2.308700    
 H   -1.452300      0.6520000      -2.280100    
 H   -1.725600      -1.088700      -2.227500    
 H   -3.081900      1.1200000E-02  -2.139600    
 H   -4.058500       1.830500      -1.007400    
 H   -4.330400       2.236800      0.6811000    
 H    3.457500     -0.4070000       2.463500    
 H    3.954800      -1.999700       1.846700    
 H    5.156000     -0.7593000       2.113100    
 H    4.656300      -2.113800     -0.4205000    
 H   -5.863800      0.3765000      0.1777000    
 H   -6.230300      -1.935100      0.5476000    
 H   -4.931100      -2.700600       1.471500    
 H   -5.026000      -2.923400     -0.2895000    


%chk=000017311-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017311

0 1
O 5.016229 -1.170441 -0.488651
C 1.885631 0.731031 0.282975
C 2.533079 -0.579168 -0.267491
C 0.440846 0.965490 -0.206570
C -0.441923 -0.266693 0.185127
C -1.943165 -0.100069 -0.264014
C 3.996058 -0.458120 0.324463
C 1.671377 -1.774000 0.208017
C 0.197091 -1.616478 -0.254528
C -2.491605 1.230809 0.363491
C 2.958466 1.816849 0.007062
C -0.151430 2.264959 0.391668
C 4.320145 1.067217 0.185931
C -1.630223 2.462133 0.000465
C -2.794918 -1.273862 0.312617
C 2.632043 -0.581153 -1.818889
C -2.091253 -0.092671 -1.810470
C -3.980644 1.467515 0.017384
C 4.134090 -0.946060 1.783156
C -4.300229 -1.028163 0.317387
C -4.825013 0.220136 0.177363
C -5.172277 -2.255834 0.500266
H 1.815187 0.611739 1.388988
H 0.451177 1.070356 -1.311722
H -0.459490 -0.277286 1.302608
H 1.687695 -1.832048 1.315200
H 2.075030 -2.735755 -0.173733
H 0.146997 -1.719566 -1.354528
H -0.392334 -2.454789 0.163220
H -2.427406 1.096051 1.467152
H 2.866811 2.680202 0.689468
H 2.853947 2.206631 -1.023773
H 0.448461 3.136803 0.065344
H -0.068089 2.217071 1.499223
H 4.986337 1.202419 -0.683379
H 4.870095 1.425823 1.074358
H -2.041561 3.357820 0.509033
H -1.705528 2.662590 -1.087942
H -2.465082 -1.492931 1.353039
H -2.593071 -2.200730 -0.263501
H 3.305236 0.210336 -2.187910
H 3.046790 -1.540823 -2.174889
H 1.646841 -0.440664 -2.294050
H -1.570199 0.759863 -2.280653
H -1.681924 -1.019173 -2.252846
H -3.155969 -0.040219 -2.098899
H -4.070518 1.855752 -1.021534
H -4.379751 2.274977 0.665874
H 3.442022 -0.420248 2.465306
H 3.937570 -2.031844 1.875024
H 5.165830 -0.756485 2.128877
H 4.889158 -2.146441 -0.364564
H -5.917693 0.346730 0.176422
H -6.244187 -1.994899 0.548096
H -4.910668 -2.796440 1.432439
H -5.030390 -2.976046 -0.330610


