%chk=000172189.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172189

1 1
 S   -3.889000       1.476300     -0.1344000    
 S   -6.850400       2.038800     -0.1844000    
 O   -4.197400      -2.280200      0.5219000    
 O    6.727200     -0.9131000      0.3092000    
 N   -5.759300     -0.5200000      0.2412000    
 N    1.479800       1.072300     -0.1427000    
 C   -6.496500      -1.205100     -0.9039000    
 C   -4.352900      -1.085700      0.3170000    
 C   -6.457000     -0.7756000       1.572300    
 C   -5.574700      0.9659000     -1.9300001E-02
 C   -3.270000     -0.1004000      0.1297000    
 C   -5.776200     -0.9176000      -2.203000    
 C   0.3890000      0.1927000      2.5200000E-02
 C   -1.974300     -0.4311000      0.1684000    
 C    2.827800      0.6000000     -3.2299999E-02
 C    3.065100     -0.7740000      0.2142000    
 C  -0.9165000      0.5253000     -1.3400000E-02
 C    1.330400       2.503400     -0.4294000    
 C   0.6843000      -1.219600      0.2666000    
 C    1.933200      -1.689200      0.3554000    
 C    3.956600       1.434600     -0.1534000    
 C    4.370600      -1.276100      0.3265000    
 C    1.462200       3.338000      0.8278000    
 C    5.462700     -0.4243000      0.1990000    
 C    5.255700      0.9287000     -3.9799999E-02
 C    7.749000     -0.2460000     -0.4308000    
 C    8.820600      -1.218100     -0.7875000    
 H   -6.521800      -2.280300     -0.6928000    
 H   -7.526400     -0.8336000     -0.9229000    
 H   -7.482900     -0.4025000       1.512500    
 H   -6.470100      -1.854400       1.755800    
 H   -5.899600     -0.2598000       2.360200    
 H   -6.303300      -1.430300      -3.016200    
 H   -5.761200      0.1414000      -2.472300    
 H   -4.750600      -1.297700      -2.217600    
 H   -1.794300      -1.479200      0.3504000    
 H   -1.187800       1.561000     -0.1730000    
 H    2.030000       2.839400      -1.204300    
 H   0.3565000       2.715600     -0.8837000    
 H  -5.7200000E-02  -1.994500      0.3821000    
 H    2.123300      -2.742500      0.5314000    
 H    3.879200       2.501900     -0.3345000    
 H    4.540200      -2.334300      0.5150000    
 H   0.6811000       3.075300       1.549700    
 H    2.424200       3.209400       1.330700    
 H    1.349900       4.400200      0.5877000    
 H    6.076600       1.635900     -0.1173000    
 H    7.360500      0.1770000      -1.366000    
 H    8.164800      0.5599000      0.1843000    
 H    9.625600     -0.7335000      -1.347600    
 H    9.248600      -1.674500      0.1114000    
 H    8.419200      -2.037500      -1.393500    


%chk=000172189-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172189

1 1
S -3.900953 1.552591 0.208322
S -6.894958 2.247276 0.397691
O -4.465051 -2.383548 0.258347
O 6.913696 -0.959327 -0.068512
N -5.830922 -0.346183 0.366006
N 1.514124 0.735425 -0.307544
C -6.732416 -0.829510 -0.798894
C -4.406976 -1.133031 0.255091
C -6.452795 -0.750950 1.703201
C -5.637058 1.157154 0.325705
C -3.346632 -0.199590 0.186635
C -6.167878 -0.477851 -2.176271
C 0.485368 -0.162652 -0.020747
C -1.985860 -0.576664 0.104308
C 2.881999 0.364218 -0.238354
C 3.230720 -1.010447 0.027746
C -0.885956 0.279951 0.019194
C 1.180874 2.138795 -0.714228
C 0.849163 -1.533103 0.246260
C 2.164283 -1.949659 0.255896
C 3.935071 1.301662 -0.425563
C 4.589518 -1.405862 0.074059
C 1.103740 3.112911 0.478240
C 5.620375 -0.468834 -0.130130
C 5.277012 0.897119 -0.374083
C 8.052904 -0.020359 -0.268900
C 9.327334 -0.847446 -0.151574
H -6.802639 -1.921481 -0.656148
H -7.716694 -0.361339 -0.626129
H -7.459006 -0.310447 1.769101
H -6.490632 -1.850845 1.726718
H -5.819825 -0.374464 2.521034
H -6.862751 -0.864989 -2.941418
H -6.082679 0.611576 -2.326964
H -5.185808 -0.947598 -2.354414
H -1.843568 -1.665390 0.095507
H -1.086710 1.355034 0.006235
H 1.939752 2.465146 -1.441765
H 0.229457 2.110953 -1.268380
H 0.053553 -2.245163 0.468312
H 2.411286 -2.996136 0.461953
H 3.732931 2.360850 -0.595488
H 4.852994 -2.449078 0.272919
H 0.327094 2.811856 1.202138
H 2.063451 3.168029 1.019764
H 0.858010 4.125738 0.113981
H 6.057127 1.649240 -0.518052
H 7.960865 0.445789 -1.270224
H 8.006875 0.768517 0.508233
H 10.208762 -0.197575 -0.296627
H 9.401773 -1.316430 0.843604
H 9.352160 -1.641578 -0.916193


