%chk=000017234.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017234

0 1
 O   -5.439700      0.1783000      2.5500000E-02
 O   -6.796900      -1.672600     -0.1506000    
 C    3.318400     -0.4031000     -0.1186000    
 C    2.001000      0.3758000     -6.5899998E-02
 C    4.557900      0.4899000     -1.7300000E-02
 C   0.7615000     -0.5186000     -0.1424000    
 C    5.842200     -0.3421000     -6.3199997E-02
 C  -0.5237000      0.3077000     -5.4200001E-02
 C    7.116500      0.4979000      6.4800002E-02
 C   -1.764600     -0.5798000     -0.1639000    
 C    8.434100     -0.2841000      4.6399999E-02
 C   -3.046900      0.2406000     -4.2700000E-02
 C    9.707400      0.5619000      0.1184000    
 C   -4.286100     -0.6407000     -0.1078000    
 C    10.98200     -0.2650000      0.1801000    
 C   -6.642400     -0.4673000     -1.2900000E-02
 C   -7.752000      0.5150000      0.1369000    
 C   -7.588700       1.921100     -0.3535000    
 C   -8.880100      8.4700003E-02  0.7207000    
 H    3.358800     -0.9742000      -1.054500    
 H    3.332900      -1.134300      0.6991000    
 H    1.968800      0.9577000      0.8637000    
 H    1.978700       1.097700     -0.8918000    
 H    4.523100       1.060800      0.9182000    
 H    4.558700       1.214700     -0.8400000    
 H   0.7857000      -1.250100      0.6743000    
 H   0.7761000      -1.082200      -1.083000    
 H    5.878400     -0.9038000      -1.004700    
 H    5.824100      -1.082200      0.7464000    
 H  -0.5434000      0.8531000      0.8972000    
 H  -0.5371000       1.055700     -0.8562000    
 H    7.135200       1.231100     -0.7514000    
 H    7.067700       1.075100      0.9968000    
 H   -1.740400      -1.340700      0.6257000    
 H   -1.755500      -1.109700      -1.124000    
 H    8.468800     -0.8926000     -0.8661000    
 H    8.429000     -0.9893000      0.8873000    
 H   -3.051500      0.8009000      0.9007000    
 H   -3.092900      0.9941000     -0.8388000    
 H    9.662400       1.206700       1.004200    
 H    9.751500       1.223900     -0.7544000    
 H   -4.321300      -1.167800      -1.068500    
 H   -4.266400      -1.376600      0.7047000    
 H    10.98760     -0.9086000       1.065500    
 H    11.85800      0.3893000      0.2285000    
 H    11.07830     -0.8996000     -0.7065000    
 H   -6.835100       2.450700      0.2384000    
 H   -7.273200       1.923300      -1.402000    
 H   -8.522800       2.489000     -0.2887000    
 H   -9.726000      0.7503000      0.8603000    
 H   -8.994100     -0.9331000       1.079300    


%chk=000017234-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017234

0 1
O -5.546925 0.210100 -0.006769
O -6.877915 -1.703061 -0.005261
C 3.357139 -0.429639 0.002401
C 2.043230 0.383922 0.000705
C 4.625586 0.452986 0.001120
C 0.777014 -0.501859 0.002053
C 5.938309 -0.362577 0.002285
C -0.538021 0.309545 -0.000443
C 7.208104 0.518384 0.001071
C -1.800523 -0.581462 0.001101
C 8.520318 -0.298087 0.002073
C -3.112989 0.237473 -0.002995
C 9.790597 0.583040 0.000695
C -4.342059 -0.670970 -0.000388
C 11.096304 -0.241355 0.001793
C -6.781969 -0.449583 -0.008977
C -7.920576 0.530030 -0.016185
C -7.611551 2.012862 -0.020944
C -9.181705 0.016378 -0.018152
H 3.375179 -1.097553 -0.884326
H 3.374830 -1.094509 0.891418
H 2.024822 1.051689 0.887483
H 2.025167 1.048454 -0.888511
H 4.608545 1.120638 0.888087
H 4.608543 1.118046 -0.887795
H 0.796129 -1.166079 0.891448
H 0.797000 -1.169972 -0.884401
H 5.955191 -1.030297 -0.884637
H 5.955174 -1.027842 0.891051
H -0.559008 0.977184 0.886016
H -0.558202 0.972917 -0.890125
H 7.191660 1.183664 -0.887754
H 7.191734 1.185995 0.888146
H -1.778352 -1.243861 0.891449
H -1.776518 -1.249475 -0.884990
H 8.538225 -0.965807 -0.884888
H 8.538426 -0.963339 0.890884
H -3.146028 0.899260 0.883966
H -3.144795 0.892187 -0.895237
H 9.771602 1.249863 0.887010
H 9.771461 1.247274 -0.887562
H -4.382308 -1.324914 -0.891568
H -4.385219 -1.315761 0.897319
H 11.153226 -0.891150 0.895632
H 11.989153 0.410842 0.000557
H 11.152875 -0.894053 -0.889953
H -7.013925 2.295702 0.864135
H -7.008750 2.288865 -0.904688
H -8.541893 2.605805 -0.025978
H -10.063074 0.666690 -0.023357
H -9.339236 -1.067689 -0.014514


