%chk=000004078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004078

0 1
 S   -3.788500       1.528800      0.3425000    
 S   -1.574400      -4.435600      0.1586000    
 O  -0.1906000      -4.421500      0.7458000    
 N    3.796600     -0.6396000     -0.8963000    
 N  -0.7851000      0.7363000      0.4676000    
 C    2.926400     -0.2192000      0.2263000    
 C    3.485300       1.056800      0.8879000    
 C    1.484200      6.4999998E-02 -0.2169000    
 C    4.926800      0.8759000       1.345600    
 C    5.178600     -0.8714000     -0.4406000    
 C    5.784500      0.3789000      0.1925000    
 C   0.5693000      0.4316000      0.9469000    
 C    3.303400      -1.845500      -1.567900    
 C   -1.701800     -0.3412000      0.3725000    
 C   -1.052800       2.071300      7.1999997E-02
 C   -3.088900     -0.1088000      0.2855000    
 C   -2.375400       2.542600     -4.5100000E-02
 C   -1.273200      -1.685700      0.3243000    
 C  -1.8900000E-02   2.975500     -0.2563000    
 C   -3.993200      -1.180800      0.1834000    
 C   -2.176000      -2.747200      0.2177000    
 C   -2.635400       3.865200     -0.4460000    
 C   -3.537700      -2.494600      0.1504000    
 C  -0.2831000       4.287500     -0.6591000    
 C   -1.592600       4.733700     -0.7512000    
 C   -1.387500      -4.558000      -1.640100    
 H    2.905000      -1.019900      0.9795000    
 H    2.915900       1.335200       1.778500    
 H    3.431400       1.901400      0.1888000    
 H    1.493700      0.8389000     -0.9919000    
 H    1.075700     -0.8100000     -0.7257000    
 H    4.964000      0.1542000       2.170800    
 H    5.322800       1.823300       1.727500    
 H    5.808900      -1.151100      -1.293900    
 H    5.215500      -1.702600      0.2762000    
 H    5.877200       1.168100     -0.5644000    
 H    6.796400      0.1596000      0.5514000    
 H   0.5567000     -0.3740000       1.693300    
 H   0.9336000       1.290100       1.518600    
 H    3.123400      -2.666300     -0.8645000    
 H    4.024100      -2.194200      -2.317400    
 H    2.384800      -1.646400      -2.127700    
 H  -0.2213000      -1.938900      0.3869000    
 H    1.030200       2.711200     -0.1891000    
 H   -5.065400      -1.002500      0.1276000    
 H   -3.656300       4.233400     -0.5252000    
 H   -4.256400      -3.305300      6.7900002E-02
 H   0.5383000       4.958000     -0.8945000    
 H   -1.803300       5.752800      -1.060500    
 H   -2.365300      -4.459400      -2.117700    
 H  -0.9681000      -5.538600      -1.877700    
 H  -0.7115000      -3.779100      -2.001300    


%chk=000004078-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004078

0 1
S -3.884223 1.467094 0.702028
S -0.647284 -4.158633 0.319390
O 0.940847 -3.602391 0.335558
N 3.698668 -0.670983 -0.929342
N -0.787545 1.088326 0.498386
C 2.845760 -0.198323 0.204451
C 3.676309 0.706006 1.152729
C 1.604381 0.576616 -0.308872
C 4.957565 0.013897 1.662363
C 4.911146 -1.385663 -0.435137
C 5.783105 -0.489451 0.461248
C 0.650653 0.976565 0.856000
C 2.962990 -1.544450 -1.881868
C -1.547512 -0.109121 0.433587
C -1.278076 2.329339 -0.010630
C -2.975927 -0.098255 0.428550
C -2.671186 2.620520 -0.052227
C -0.907713 -1.378789 0.389089
C -0.386414 3.327382 -0.493077
C -3.722388 -1.291105 0.345406
C -1.675700 -2.545732 0.331250
C -3.151690 3.835965 -0.575924
C -3.078287 -2.552012 0.311174
C -0.864937 4.563236 -0.978788
C -2.249918 4.824894 -1.031974
C -0.945761 -4.585313 -1.534726
H 2.482366 -1.087595 0.792372
H 3.047900 1.011475 2.011264
H 3.951500 1.624832 0.595660
H 1.956063 1.463444 -0.869532
H 1.034206 -0.040037 -1.023376
H 4.684028 -0.846685 2.307075
H 5.549183 0.710908 2.286239
H 5.491440 -1.713081 -1.318298
H 4.626555 -2.308731 0.135973
H 6.143341 0.372881 -0.132891
H 6.668944 -1.059793 0.801209
H 0.723556 0.218151 1.657732
H 0.954108 1.937384 1.305058
H 2.441357 -2.393243 -1.375883
H 3.684773 -1.957965 -2.608771
H 2.220644 -0.964850 -2.457027
H 0.181272 -1.507759 0.394100
H 0.688774 3.137075 -0.503802
H -4.816105 -1.235225 0.335457
H -4.231853 4.015470 -0.605973
H -3.663426 -3.476883 0.281251
H -0.147431 5.312738 -1.329697
H -2.627651 5.776325 -1.419077
H -2.017622 -4.778743 -1.691979
H -0.335857 -5.476649 -1.741723
H -0.596926 -3.715162 -2.108503


