%chk=000003695.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003695

0 1
 S   -1.722700     -5.1300000E-02   1.509500    
 O    4.528000      -2.715100     -0.2347000    
 O    3.392300       1.763700      0.1608000    
 O   0.5119000       2.688300      -1.272500    
 O  -0.5996000       2.828100      0.7214000    
 N    1.612600      0.3537000     -0.4834000    
 N   -5.187100     -0.6904000     -0.4878000    
 N   -7.552900     -0.9274000     -0.9833000    
 C    1.753900      -1.099700     -0.2455000    
 C    3.188400     -0.7825000      0.2576000    
 C   0.5785000      -1.450300      0.6737000    
 C    2.852500      0.6974000     -3.1300001E-02
 C    4.347800      -1.331400     -0.5387000    
 C   0.4301000      0.7981000      3.6400001E-02
 C  -0.2233000     -0.1733000      0.6861000    
 C    5.651000     -0.5945000     -0.2468000    
 C   4.6300001E-02   2.199000     -0.1020000    
 C   -2.861300     -0.4541000      0.1641000    
 C   -4.303800     -0.3718000      0.6376000    
 C   -6.442900     -0.6866000     -0.2211000    
 H    1.719000      -1.652800      -1.193800    
 H    3.314200     -0.9567000       1.335400    
 H   0.9196000      -1.718200       1.679100    
 H  -3.4000000E-03  -2.279000      0.2568000    
 H    4.152500      -1.260300      -1.615400    
 H    6.487000      -1.077600     -0.7642000    
 H    5.608800      0.4516000     -0.5621000    
 H    5.881700     -0.6226000      0.8241000    
 H    3.707600      -3.176700     -0.4785000    
 H   -2.644700      -1.462700     -0.2059000    
 H   -2.702800      0.2416000     -0.6680000    
 H   0.2716000       3.631000      -1.399000    
 H   -4.524800      0.6391000       1.003100    
 H   -4.473500      -1.083700       1.455600    
 H   -6.764600     -0.4493000      0.8095000    
 H   -8.487800     -0.8781000     -0.5925000    
 H   -7.472700      -1.164800      -1.966200    


%chk=000003695-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003695

0 1
S -2.059577 1.428252 0.175436
O 3.537985 -2.872793 -1.191411
O 3.713785 1.151919 1.409890
O 1.925741 3.850198 0.112530
O -0.374792 3.868010 0.519365
N 1.938739 1.059260 -0.284004
N -5.206941 -1.170078 -0.416158
N -6.695153 -2.898812 0.165208
C 1.589164 -0.329332 -0.766913
C 2.785245 -0.890122 0.084161
C 0.102328 -0.508823 -0.347947
C 2.980383 0.583511 0.585480
C 3.954701 -1.549582 -0.670244
C 0.731942 1.797165 -0.029973
C -0.355946 0.936677 -0.086429
C 5.154966 -1.810026 0.241852
C 0.676033 3.232640 0.227505
C -2.978240 -0.197055 -0.219751
C -4.485667 0.048337 -0.010088
C -5.984869 -1.749244 0.459345
H 1.718883 -0.427305 -1.860244
H 2.463999 -1.551551 0.908974
H -0.013217 -1.113171 0.574886
H -0.489663 -1.000991 -1.137302
H 4.254614 -0.889418 -1.514357
H 5.987941 -2.239967 -0.339098
H 5.489016 -0.872570 0.719094
H 4.879244 -2.528992 1.033517
H 2.863925 -2.745555 -1.907471
H -2.615592 -0.992704 0.450598
H -2.790070 -0.472737 -1.269662
H 1.825034 4.815583 0.330814
H -4.808127 0.886797 -0.658984
H -4.672979 0.353003 1.047769
H -6.143799 -1.379200 1.494021
H -7.295784 -3.339333 0.855035
H -6.615854 -3.301289 -0.767345


