%chk=000072555.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072555

0 1
 S   0.6646000     -9.8600000E-02  -1.623400    
 S   0.1556000       1.893500      -1.567300    
 O  -0.6841000      -1.709700       2.133000    
 O   -3.495000     -0.3076000      -2.706600    
 O    2.326700      -1.044200       1.895000    
 O   -2.951300       2.246700      -1.050000    
 N    1.572000      -2.499700      0.2542000    
 N   -3.208200      0.3458000      0.2528000    
 C   0.7660000      -3.324400       1.115300    
 C   -4.338200     -0.1982000     -0.4655000    
 C  -0.6621000      -2.799100       1.212900    
 C   -3.889400      -1.114300      -1.598700    
 C    3.057500     -0.6452000     -0.2971000    
 C   -1.437600       1.949900      0.7161000    
 C   -1.612100      -3.879200       1.711900    
 C   -5.018900      -2.034100      -2.041900    
 C    2.296500      -1.411200      0.7233000    
 C   -2.582900       1.547300     -9.2600003E-02
 C    2.435600     -2.2399999E-02  -1.379300    
 C  -0.1675000       2.135500      0.1702000    
 C    4.441400     -0.5607000     -0.1448000    
 C   -1.646200       2.149900       2.080700    
 C    3.197800      0.6851000      -2.309000    
 C   0.8940000       2.521500      0.9890000    
 C    5.203500      0.1467000      -1.074700    
 C  -0.5847000       2.535700       2.899400    
 C    4.581800      0.7695000      -2.156800    
 C   0.6852000       2.721400       2.353600    
 H    1.236000      -3.374000       2.104000    
 H   0.7801000      -4.325500      0.6715000    
 H   -4.947800      0.6296000     -0.8445000    
 H   -4.923100     -0.7546000      0.2745000    
 H   -1.009200      -2.429300      0.2417000    
 H   -3.025700      -1.715500      -1.292400    
 H    1.597300      -2.724900     -0.7363000    
 H   -2.848200     -0.1893000       1.037000    
 H   -1.320700      -4.227200       2.709000    
 H   -2.629400      -3.482700       1.801900    
 H   -1.634100      -4.736000       1.031800    
 H   -5.877000      -1.455500      -2.401100    
 H   -4.694100      -2.665400      -2.876000    
 H   -5.348500      -2.682700      -1.224600    
 H    4.940100      -1.042500      0.6923000    
 H   -2.630000       2.014900       2.523400    
 H    2.742700       1.170000      -3.169200    
 H    1.892300       2.673500      0.5857000    
 H    6.281200      0.2115000     -0.9569000    
 H  -0.7471000       2.692300       3.961800    
 H   -1.607200      -1.421800       2.229700    
 H   -3.197300     -0.9055000      -3.413300    
 H    5.175800       1.317700      -2.882200    
 H    1.511600       3.021600       2.991100    


%chk=000072555-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072555

0 1
S 1.750121 -0.388652 -2.594091
S 0.143845 1.418282 -2.549454
O -1.193062 -1.775160 1.768964
O -4.648475 -0.342812 -2.386175
O 1.472303 -1.256433 1.947712
O -2.812286 1.456184 -1.496619
N 1.075351 -2.175989 -0.133911
N -2.770574 -0.062136 0.285234
C 0.277839 -3.279575 0.433798
C -4.115039 -0.625532 0.036045
C -1.173055 -2.908078 0.817687
C -4.312772 -1.313001 -1.349895
C 2.778796 -0.370172 0.102282
C -0.965579 1.560417 0.072111
C -1.914870 -4.106589 1.428381
C -5.467954 -2.322875 -1.308572
C 1.711580 -1.274728 0.680334
C -2.247186 0.962109 -0.453788
C 2.923157 0.053547 -1.258255
C 0.122866 1.894290 -0.789406
C 3.744981 0.067271 1.048297
C -0.893378 1.930318 1.437472
C 4.020928 0.874796 -1.628085
C 1.220638 2.637127 -0.282504
C 4.837572 0.871322 0.669735
C 0.219498 2.639219 1.943291
C 4.983642 1.273618 -0.678476
C 1.273004 3.007796 1.078356
H 0.802516 -3.648788 1.336322
H 0.253227 -4.095578 -0.310178
H -4.875178 0.176689 0.115950
H -4.295141 -1.355315 0.845923
H -1.704424 -2.559102 -0.091590
H -3.364635 -1.844917 -1.606238
H 1.142912 -2.043761 -1.154566
H -2.160132 -0.549475 0.985352
H -1.376358 -4.492904 2.312570
H -2.920602 -3.791989 1.755344
H -2.030976 -4.926149 0.694488
H -6.396396 -1.832682 -0.963328
H -5.649766 -2.708819 -2.325707
H -5.239234 -3.173820 -0.639537
H 3.603462 -0.244240 2.087725
H -1.732595 1.686535 2.097280
H 4.102586 1.193076 -2.671987
H 2.025222 2.922215 -0.966150
H 5.571416 1.180885 1.421494
H 0.250750 2.917630 3.001977
H -0.252354 -1.581940 2.091053
H -4.036516 0.450841 -2.265669
H 5.830865 1.895343 -0.986811
H 2.127163 3.580301 1.454415


