%chk=000044178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044178

0 1
 S    3.533100      0.8089000     -6.1999999E-02
 O   -2.731000     -0.7077000     -0.7057000    
 O    4.669000      -1.538700      6.8599999E-02
 N    6.158800      0.2388000      0.2422000    
 C  -0.3573000     -0.5170000     -0.4548000    
 C   0.8288000      0.4393000     -0.3309000    
 C   -1.671700      0.2346000     -0.6113000    
 C    2.140300     -0.3313000     -0.2114000    
 C   -3.958400     -0.3066000     -0.2457000    
 C    4.882300     -0.3288000      0.1013000    
 C   -4.311500       1.036300     -0.3089000    
 C   -4.836700      -1.247300      0.2796000    
 C    6.375800       1.680200      0.2773000    
 C    7.371100     -0.5726000      0.3649000    
 C   -5.560200       1.444400      0.1599000    
 C   -6.085500     -0.8392000      0.7484000    
 C   -6.447200      0.5067000      0.6885000    
 H  -0.4125000      -1.168400      0.4265000    
 H  -0.2188000      -1.185500      -1.313800    
 H   0.6849000       1.079200      0.5490000    
 H   0.8564000       1.093900      -1.211300    
 H   -1.788100      0.8893000      0.2624000    
 H   -1.650000      0.8435000      -1.522600    
 H    2.286100     -0.9615000      -1.095300    
 H    2.110700     -0.9799000      0.6707000    
 H   -3.662400       1.793100     -0.7386000    
 H   -4.558600      -2.296300      0.3281000    
 H    5.799900       2.120700       1.096400    
 H    7.434800       1.905900      0.4366000    
 H    6.063500       2.118200     -0.6753000    
 H    7.131000      -1.638000      0.3247000    
 H    8.046300     -0.3251000     -0.4591000    
 H    7.850300     -0.3485000       1.322200    
 H   -5.845000       2.491200      0.1076000    
 H   -6.776300      -1.569400       1.159600    
 H   -7.420100      0.8242000       1.052100    


%chk=000044178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044178

0 1
S 3.909583 0.595378 1.665030
O -2.534276 -0.636982 0.646027
O 3.847187 -1.058258 -0.546829
N 5.666780 0.408954 -0.460622
C -0.184617 -0.476499 1.170753
C 1.140138 0.305323 0.997249
C -1.324811 0.160083 0.372358
C 2.283574 -0.362640 1.776380
C -3.731573 -0.253781 0.019851
C 4.495837 -0.138850 0.023856
C -3.858588 0.847984 -0.863571
C -4.859477 -1.056814 0.326607
C 6.435769 1.465929 0.213650
C 6.259708 -0.156024 -1.688844
C -5.121251 1.134778 -1.434360
C -6.108943 -0.757242 -0.249735
C -6.249602 0.340878 -1.134909
H -0.474485 -0.508500 2.238754
H -0.056438 -1.523420 0.836391
H 1.010411 1.349631 1.343739
H 1.419532 0.344989 -0.072684
H -1.492652 1.212008 0.686708
H -1.104102 0.145052 -0.715469
H 2.498424 -1.368218 1.377586
H 2.072886 -0.426029 2.858070
H -2.998673 1.477223 -1.111083
H -4.731236 -1.901004 1.011284
H 7.279863 1.046972 0.795595
H 6.841991 2.158786 -0.545463
H 5.792054 2.046120 0.893657
H 5.611145 -0.965414 -2.054877
H 6.345702 0.624166 -2.468615
H 7.267333 -0.563080 -1.478964
H -5.216573 1.986610 -2.117563
H -6.976213 -1.382231 -0.008506
H -7.222607 0.570722 -1.581550


