%chk=000060835.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060835

0 1
 S   -1.536600      -1.870200       1.664500    
 O  -0.1372000      0.3493000     -0.8990000    
 N   -4.690000       1.958600     -0.4704000    
 C   -1.274800      0.2805000     -4.4199999E-02
 C   -2.392900       1.127700     -0.6650000    
 C   -3.665800       1.149800      0.1816000    
 C   -1.636700      -1.178400      0.1187000    
 C   0.9939000      0.9109000     -0.3784000    
 C    2.192500      0.1853000     -0.2824000    
 C    3.337900      0.8106000      0.2652000    
 C   -2.046200      -2.039300     -0.8478000    
 C   0.9254000       2.233800      5.9700001E-02
 C    2.279600      -1.147000     -0.7181000    
 C    3.250900       2.143000      0.7008000    
 C    2.051800       2.848800      0.5980000    
 C    4.536600      8.5199997E-02  0.3611000    
 C   -2.293500      -3.333800     -0.3065000    
 C   -2.055800      -3.381600       1.049500    
 C   -5.922800       1.957000      0.3039000    
 C    3.478700      -1.852700     -0.6150000    
 C    4.605100      -1.237700     -7.6399997E-02
 H   -1.047500      0.7048000      0.9449000    
 H   -2.620500      0.7537000      -1.672900    
 H   -2.035100       2.153600     -0.8171000    
 H   -3.433500       1.565000       1.169600    
 H   -4.041900      0.1304000      0.3233000    
 H   -2.167300      -1.781200      -1.891900    
 H   -4.877200       1.588500      -1.401900    
 H   8.5000005E-03   2.809300     -2.0000000E-02
 H    1.419400      -1.657500      -1.145300    
 H    4.119000       2.643900       1.124300    
 H    1.999000       3.879600      0.9361000    
 H    5.429500      0.5458000      0.7786000    
 H   -2.628100      -4.186800     -0.8825000    
 H   -2.161900      -4.231800       1.708400    
 H   -6.669300       2.579900     -0.1987000    
 H   -5.764500       2.375900       1.303000    
 H   -6.337000      0.9480000      0.3998000    
 H    3.532800      -2.882600     -0.9557000    
 H    5.538300      -1.787700      3.5000001E-03


%chk=000060835-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060835

0 1
S -1.701786 -2.513944 2.211453
O 0.000551 -0.449525 -0.018209
N -4.196828 2.035511 -0.889785
C -1.396533 -0.240833 0.488640
C -2.175040 0.660044 -0.494258
C -3.533361 1.126996 0.067310
C -1.984927 -1.613002 0.665967
C 0.970799 0.535213 0.235150
C 2.296287 0.191525 -0.227439
C 3.372590 1.133957 -0.008765
C -2.700284 -2.398648 -0.227580
C 0.732856 1.757090 0.879262
C 2.568574 -1.049341 -0.888127
C 3.103995 2.375847 0.659275
C 1.811843 2.671770 1.090278
C 4.687463 0.791749 -0.468604
C -3.046981 -3.702710 0.280512
C -2.592748 -3.927841 1.570612
C -5.480947 2.587921 -0.419966
C 3.862201 -1.351512 -1.323701
C 4.930280 -0.423484 -1.113427
H -1.327282 0.261554 1.476421
H -2.318525 0.118908 -1.449580
H -1.568831 1.553201 -0.727192
H -3.368052 1.693447 1.007374
H -4.159498 0.240322 0.337251
H -2.971196 -2.058554 -1.229922
H -4.278164 1.606021 -1.821169
H -0.266503 2.039750 1.221218
H 1.744172 -1.751508 -1.039292
H 3.924282 3.083880 0.821638
H 1.603269 3.620737 1.596497
H 5.503735 1.505326 -0.303704
H -3.611746 -4.443871 -0.289853
H -2.709429 -4.810659 2.196591
H -5.920913 3.225812 -1.206674
H -5.305195 3.226443 0.465913
H -6.238122 1.817454 -0.131726
H 4.062626 -2.303395 -1.827767
H 5.940168 -0.671052 -1.459324


