%chk=000034674.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034674

0 1
 S   -3.296800      0.6638000      0.9684000    
 O    1.045200     -0.5798000      -2.085700    
 N    3.100300     -0.2687000     -0.4565000    
 N  -0.4897000     -6.2799998E-02 -0.3959000    
 C    4.212300     -0.4259000      0.4777000    
 C    1.836400     -0.5788000      0.1711000    
 C    4.016500      0.5442000       1.646100    
 C    4.221600      -1.870500      0.9830000    
 C    5.520000     -0.1102000     -0.2541000    
 C   0.7812000     -0.3896000     -0.8981000    
 C  -0.8432000       1.326000     -0.2102000    
 C   -1.450000      -1.116800     -0.1657000    
 C   -2.041500       1.753900      0.3759000    
 C   -2.719700     -0.9026000      0.3895000    
 C   3.6400001E-02   2.332000     -0.6760000    
 C   -1.104700      -2.455000     -0.4695000    
 C   -2.312500       3.129900      0.5233000    
 C   -3.610500      -1.980100      0.5754000    
 C  -0.2401000       3.693800     -0.5302000    
 C   -1.992300      -3.518300     -0.2810000    
 C   -1.416000       4.094600      7.7799998E-02
 C   -3.253100      -3.279300      0.2348000    
 H    3.085400      0.6877000     -0.8117000    
 H    1.746800      -1.621300      0.4892000    
 H    1.587100      7.8699999E-02   1.008500    
 H    3.211200      0.2515000       2.327800    
 H    4.926100      0.5863000       2.258300    
 H    3.821300       1.566100       1.299200    
 H    4.167800      -2.590400      0.1575000    
 H    3.415700      -2.092200       1.690700    
 H    5.155700      -2.076000       1.520900    
 H    5.529200      0.9187000     -0.6327000    
 H    6.383400     -0.2241000      0.4113000    
 H    5.670900     -0.7810000      -1.108100    
 H   0.9738000       2.078000      -1.165800    
 H  -0.1309000      -2.707300     -0.8833000    
 H   -3.238100       3.468000      0.9870000    
 H   -4.598600      -1.817700       1.003400    
 H   0.4671000       4.433200     -0.8943000    
 H   -1.690800      -4.528700     -0.5409000    
 H   -1.641500       5.149500      0.1975000    
 H   -3.950000      -4.097400      0.3859000    


%chk=000034674-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034674

0 1
S -2.490990 -0.729690 1.939781
O 1.124954 -1.852801 -1.121069
N 3.111071 -0.847747 0.436299
N -0.489314 -0.368049 -0.309572
C 4.450620 -0.224639 0.628478
C 1.955724 0.021401 0.205668
C 4.951474 0.534331 -0.640937
C 4.392181 0.747841 1.833280
C 5.426624 -1.383498 0.947204
C 0.847133 -0.803604 -0.472132
C -0.839275 0.878251 0.334676
C -1.586817 -1.238276 -0.685162
C -1.761509 0.868188 1.412223
C -2.608851 -1.484385 0.264602
C -0.333660 2.115082 -0.132611
C -1.662899 -1.837314 -1.963239
C -2.116177 2.068862 2.063728
C -3.696918 -2.325327 -0.050211
C -0.670629 3.314741 0.529657
C -2.738872 -2.696861 -2.272178
C -1.552102 3.291402 1.636029
C -3.754468 -2.943012 -1.319403
H 3.116947 -1.632375 -0.231621
H 1.576588 0.450406 1.152537
H 2.180564 0.892319 -0.461821
H 4.258365 1.347754 -0.929112
H 5.942461 0.992242 -0.463440
H 5.041378 -0.160115 -1.497273
H 4.015779 0.218680 2.726649
H 3.725512 1.607219 1.632582
H 5.397890 1.149018 2.054676
H 5.461048 -2.109948 0.112443
H 6.451039 -1.001704 1.108366
H 5.095748 -1.918690 1.854096
H 0.317563 2.131161 -1.012144
H -0.868169 -1.651483 -2.688398
H -2.834725 2.046458 2.889442
H -4.487278 -2.493476 0.688444
H -0.260560 4.265029 0.172369
H -2.783559 -3.172245 -3.257497
H -1.820482 4.221459 2.147719
H -4.592010 -3.605203 -1.562629


