%chk=000093953.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093953

0 1
 S   -2.883500     -0.2681000      -1.391000    
 O   -1.618300     -0.1890000      -2.095900    
 O   -4.132900     -0.2024000      -2.124400    
 N   -2.916300      0.8935000     -0.1547000    
 N  -0.4715000      -1.820300     -0.3864000    
 N    4.864200       1.196400     -0.7054000    
 N  -0.1182000      -1.039000      0.5269000    
 N    8.885200      -1.042000      0.8366000    
 C   -4.221800       1.396300      0.3515000    
 C   -4.667000       2.596300     -0.4871000    
 C   -4.092800       1.750100       1.834600    
 C   -3.818000       3.842400     -0.2356000    
 C   -3.246900       3.000500       2.073900    
 C   -3.743400       4.183700       1.249200    
 C   -2.903000      -1.779300     -0.4740000    
 C   -1.718200      -2.379900     -7.9000004E-02
 C   -4.132200      -2.341300     -0.1647000    
 C   -1.762900      -3.572400      0.6433000    
 C   -4.177000      -3.533700      0.5577000    
 C   -2.992400      -4.149200      0.9617000    
 C    3.609400      0.6339000     -0.3934000    
 C    6.063500      0.3830000     -0.6668000    
 C    1.132700     -0.4773000      0.2190000    
 C    2.438400       1.268700     -0.8075000    
 C    3.538900     -0.5579000      0.3278000    
 C    1.196900      0.7118000     -0.5006000    
 C    2.297500      -1.115000      0.6347000    
 C    4.973700       2.598800      -1.055200    
 C    6.696100      0.4125000      0.7205000    
 C    7.919500     -0.4008000      0.7842000    
 H   -4.966700      0.5975000      0.2633000    
 H   -4.646000       2.360000      -1.556600    
 H   -5.710500       2.829700     -0.2388000    
 H   -5.095500       1.920700       2.246800    
 H   -3.660500      0.9088000       2.389700    
 H   -2.805800       3.689200     -0.6288000    
 H   -4.243300       4.690400     -0.7847000    
 H   -3.275000       3.260200       3.138400    
 H   -2.197600       2.796600       1.830000    
 H   -3.078000       5.041700       1.397400    
 H   -4.736500       4.484800       1.604600    
 H   -2.099500       1.500500     -1.8900000E-02
 H   -5.068400      -1.879200     -0.4621000    
 H  -0.8458000      -4.060900      0.9625000    
 H   -5.134200      -3.982200      0.8069000    
 H   -3.027400      -5.077500       1.524300    
 H    5.869700     -0.6458000     -0.9986000    
 H    6.787500      0.7692000      -1.397900    
 H    2.449300       2.192900      -1.377500    
 H    4.412000      -1.103800      0.6656000    
 H   0.2931000       1.221800     -0.8197000    
 H    2.250600      -2.045200       1.194900    
 H    4.587700       2.781800      -2.063700    
 H    4.438400       3.232900     -0.3395000    
 H    6.018600       2.929700      -1.046000    
 H    6.003600      7.7699997E-02   1.498400    
 H    6.949800       1.448400      0.9797000    


%chk=000093953-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093953

0 1
S -3.485139 0.094545 -1.091803
O -2.385496 0.659224 -2.157625
O -5.041895 0.547205 -1.292993
N -3.119765 0.443315 0.673306
N -0.955812 -2.221979 -0.957733
N 4.715845 0.636353 -0.281355
N -0.703659 -1.093536 -0.336580
N 5.602986 5.239209 1.228433
C -3.695263 1.719708 1.191181
C -3.149966 3.021119 0.537767
C -3.451431 1.723747 2.725000
C -1.677193 3.311182 0.907042
C -1.973481 2.001875 3.092408
C -1.466224 3.312897 2.441726
C -3.489417 -1.813621 -1.079366
C -2.316739 -2.619897 -1.054579
C -4.775605 -2.360346 -1.206635
C -2.500578 -4.027116 -1.199761
C -4.928827 -3.761639 -1.307542
C -3.783829 -4.593153 -1.307334
C 3.385501 0.205904 -0.300954
C 5.129247 1.804026 0.505201
C 0.666131 -0.714037 -0.358539
C 2.988333 -0.898567 -1.130349
C 2.372832 0.837393 0.494462
C 1.665651 -1.347054 -1.154683
C 1.048910 0.382667 0.458542
C 5.712211 0.006833 -1.166430
C 4.827652 3.152656 -0.234580
C 5.247744 4.317284 0.558785
H -4.781317 1.652516 0.997078
H -3.272186 2.965032 -0.560153
H -3.787025 3.858552 0.889036
H -4.086155 2.523005 3.157993
H -3.790469 0.762317 3.151395
H -1.022799 2.553620 0.430796
H -1.374217 4.286329 0.480027
H -1.871095 2.057338 4.193240
H -1.338242 1.150423 2.769144
H -0.397178 3.473441 2.684991
H -2.022804 4.167401 2.879725
H -2.095775 0.286334 0.752625
H -5.633581 -1.679415 -1.243574
H -1.598026 -4.646543 -1.210789
H -5.930371 -4.192778 -1.403644
H -3.893143 -5.678609 -1.402368
H 4.630384 1.804255 1.489734
H 6.212910 1.738003 0.701183
H 3.724326 -1.401718 -1.762878
H 2.612662 1.684298 1.143113
H 1.370049 -2.185091 -1.792666
H 0.290388 0.873190 1.076407
H 5.828318 -1.069854 -0.938730
H 5.442300 0.107702 -2.236161
H 6.689990 0.490412 -1.014516
H 3.745521 3.226558 -0.449298
H 5.354112 3.167281 -1.207120


