%chk=000080517.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080517

0 1
 S   4.3699998E-02   2.225900      0.4150000    
 C   -3.627800      0.4816000     -0.3871000    
 C    3.247900     -0.2962000     -0.2719000    
 C   -2.294500      0.7746000      0.3081000    
 C    2.430700      0.8731000      0.2866000    
 C   -4.382600     -0.6491000      0.3155000    
 C    4.690400     -0.2580000      0.2380000    
 C   -1.531500       1.878600     -0.4188000    
 C    1.003700      0.8484000     -0.2540000    
 C   -5.713100     -0.9980000     -0.3548000    
 C    5.557500      -1.393300     -0.3103000    
 C   -6.433600      -2.168100      0.2970000    
 C    7.009200      -1.319500      0.1368000    
 H   -3.444600      0.2033000      -1.432000    
 H   -4.247400       1.386300     -0.3963000    
 H    3.247400     -0.2556000      -1.367800    
 H    2.781700      -1.245700      1.7600000E-02
 H   -2.488500       1.071000       1.346800    
 H   -1.705400     -0.1489000      0.3376000    
 H    2.421400      0.8135000       1.382300    
 H    2.919200       1.817100      1.3400000E-02
 H   -4.569500     -0.3688000       1.359500    
 H   -3.749400      -1.544900      0.3372000    
 H    4.690900     -0.3035000       1.334100    
 H    5.143900      0.7019000     -3.8800001E-02
 H   -2.121000       2.801700     -0.4090000    
 H   -1.350400       1.619800      -1.467300    
 H   0.5294000     -9.8499998E-02  2.0000000E-02
 H    1.019800      0.9224000      -1.346400    
 H   -5.535700      -1.239300      -1.409800    
 H   -6.369700     -0.1201000     -0.3362000    
 H    5.527000      -1.376500      -1.406300    
 H    5.136300      -2.355600      4.1999999E-03
 H   -6.659900      -1.951000       1.345700    
 H   -5.820900      -3.074300      0.2582000    
 H   -7.376100      -2.371000     -0.2208000    
 H    7.084000      -1.368500       1.227800    
 H    7.473700     -0.3866000     -0.1978000    
 H    7.579500      -2.154200     -0.2825000    


%chk=000080517-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080517

0 1
S 0.074800 2.150795 0.588051
C -3.745572 0.447445 -0.372550
C 3.408179 -0.375083 -0.141228
C -2.406466 0.682696 0.367297
C 2.554025 0.841789 0.289648
C -4.597793 -0.676509 0.260632
C 4.917084 -0.173099 0.127071
C -1.579148 1.811614 -0.271716
C 1.057280 0.636022 -0.000044
C -5.928430 -0.924756 -0.485784
C 5.779259 -1.385473 -0.293511
C -6.777566 -2.044923 0.153421
C 7.285430 -1.172788 -0.027957
H -3.542218 0.197136 -1.435061
H -4.332685 1.389749 -0.381333
H 3.251885 -0.571682 -1.222560
H 3.058402 -1.281450 0.395808
H -2.602586 0.932136 1.428399
H -1.818631 -0.256942 0.368264
H 2.699231 1.026076 1.373188
H 2.906895 1.750460 -0.236748
H -4.813880 -0.422288 1.319250
H -4.008837 -1.617463 0.281058
H 5.074534 0.029809 1.206970
H 5.268584 0.730454 -0.413404
H -2.118233 2.774858 -0.221203
H -1.361163 1.599445 -1.335135
H 0.675296 -0.259565 0.520907
H 0.875454 0.525851 -1.085490
H -5.710366 -1.181288 -1.542722
H -6.514140 0.016997 -0.509545
H 5.617892 -1.590777 -1.371582
H 5.429917 -2.287006 0.250249
H -7.034754 -1.798127 1.200917
H -6.226099 -3.004200 0.161796
H -7.722598 -2.203222 -0.398133
H 7.476564 -0.992211 1.046823
H 7.666211 -0.297082 -0.586875
H 7.879942 -2.053401 -0.333666


