%chk=000005773.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005773

0 1
 S   0.6501000     -0.9429000     -0.2528000    
 S    4.847800      -1.159800       1.933300    
 O   0.5819000       3.702900     -5.1700000E-02
 O   -1.771400       2.698400       2.269300    
 O   -3.073000       2.938300      0.4033000    
 O    4.005400      0.6847000      -2.336000    
 N  -0.3061000       1.531000     -0.2618000    
 N    2.742400       1.293200     -0.4867000    
 N   -4.061100      -1.086700      0.4295000    
 C   0.3443000      0.5925000      -1.155500    
 C    1.510800       1.604900      -1.210500    
 C   0.5551000       2.555900     -0.4318000    
 C   -1.432400       1.260200      0.4456000    
 C   -1.876700     -9.2000002E-03  0.5924000    
 C   -1.122400      -1.232200      7.6499999E-02
 C   -3.129600     -0.4027000       1.339600    
 C   -2.168600       2.419200       1.108200    
 C    3.901600      0.8532000      -1.122100    
 C    5.058800      0.6084000     -0.1746000    
 C   -3.975300      -2.413500      0.3120000    
 C   -4.951700     -0.3503000     -0.2387000    
 C    5.030000     -0.8256000      0.2758000    
 C   -4.841500      -3.085400     -0.5387000    
 C   -5.842800     -0.9687000      -1.104200    
 C   -5.783600      -2.351000      -1.252400    
 C    5.135200      -1.943600     -0.4964000    
 C    5.064500      -3.126500      0.2947000    
 C    4.908400      -2.844700       1.634000    
 H  -0.1850000      0.4725000      -2.108200    
 H    1.712700       1.977800      -2.222500    
 H   -1.581700      -1.596300     -0.8478000    
 H   -1.142100      -2.033100      0.8214000    
 H    2.765400       1.385500      0.5263000    
 H   -3.662700      0.4447000       1.783300    
 H   -2.892700      -1.078000       2.171000    
 H    5.993300      0.8125000     -0.7104000    
 H    5.010600       1.314200      0.6625000    
 H   -3.241500      -2.938900      0.9103000    
 H   -4.947100      0.7211000     -8.1299998E-02
 H   -4.789300      -4.164000     -0.6407000    
 H   -6.572600     -0.3850000      -1.655000    
 H    5.259100      -1.935300      -1.571600    
 H   -6.472500      -2.856100      -1.923000    
 H    5.125300      -4.132900     -9.8499998E-02
 H    4.827000      -3.547700       2.451000    


%chk=000005773-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005773

0 1
S 0.642017 -1.633390 -1.127985
S 5.954618 0.919654 1.383414
O 0.996621 2.648903 0.908066
O -1.120907 1.099185 2.816759
O -3.076892 1.557429 1.621529
O 3.848616 1.392121 -2.869531
N -0.263645 0.826137 -0.160964
N 2.899263 0.635354 -0.881071
N -4.315951 -1.327803 0.254659
C 0.378213 0.216553 -1.356509
C 1.595743 1.190849 -1.164968
C 0.806614 1.760719 0.072851
C -1.331985 0.292851 0.560047
C -1.826329 -0.959433 0.222034
C -1.248184 -1.852076 -0.861810
C -2.985954 -1.512673 1.008127
C -1.867799 1.073903 1.783556
C 3.959448 0.794285 -1.759476
C 5.297786 0.153857 -1.320444
C -4.857612 -2.372380 -0.457132
C -4.895112 -0.074717 0.260257
C 5.409692 -0.262012 0.121186
C -6.030649 -2.194785 -1.200989
C -6.071099 0.136061 -0.482587
C -6.655263 -0.922605 -1.213536
C 5.123558 -1.492019 0.703999
C 5.321625 -1.529770 2.134057
C 5.763905 -0.326677 2.658135
H -0.203920 0.366435 -2.279682
H 1.710757 1.900699 -2.002322
H -1.702682 -1.693554 -1.858778
H -1.366967 -2.919702 -0.599956
H 3.068809 0.152897 0.006808
H -3.110216 -1.003680 1.976878
H -2.889592 -2.599976 1.183003
H 5.444202 -0.729971 -1.970707
H 6.085070 0.873155 -1.606693
H -4.330612 -3.327881 -0.403193
H -4.319560 0.711898 0.818816
H -6.446330 -3.040545 -1.754058
H -6.518091 1.133250 -0.471410
H 4.785991 -2.353249 0.120161
H -7.577109 -0.765926 -1.781739
H 5.140191 -2.415390 2.747298
H 5.986023 -0.064985 3.690998


