%chk=000064993.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064993

0 1
 S   0.5962000     -1.3900000E-02  -1.824600    
 O   -1.457200      -2.118600     -7.4400000E-02
 O   -3.781300      0.2253000      0.6890000    
 O   -1.105800       3.916100      0.9254000    
 O   0.3462000      -4.136400      0.6365000    
 N   -1.750500      0.1736000     -0.4721000    
 N   -2.422100       2.047600      0.7931000    
 C  -0.5595000      0.8391000     -0.8109000    
 C  -0.2817000       2.082000     -0.3554000    
 C   -1.985600      -1.176200     -0.9953000    
 C   -2.723400      0.7647000      0.3542000    
 C   -1.289800       2.776700      0.5025000    
 C   0.9362000       2.922300     -0.6518000    
 C   -1.623200      -3.451200     -0.5394000    
 C    1.955400     -4.7400001E-02 -0.6777000    
 C   -1.041600      -4.408200      0.4833000    
 C    1.813600     -0.6794000      0.5597000    
 C    3.168900      0.5581000      -1.011300    
 C    2.879700     -0.7057000       1.458800    
 C    4.235100      0.5317000     -0.1124000    
 C    4.090400     -0.1002000       1.122800    
 H   -1.611900      -1.318600      -2.014000    
 H   -3.070300      -1.332300      -1.050500    
 H   -3.113900       2.497800       1.385900    
 H    1.655200       2.860100      0.1706000    
 H   0.6623000       3.976700     -0.7740000    
 H    1.423800       2.659100      -1.592900    
 H   -2.687900      -3.664700     -0.6841000    
 H   -1.098300      -3.562500      -1.495300    
 H   -1.167300      -5.449900      0.1741000    
 H   -1.512200      -4.266200       1.460700    
 H   0.8847000      -1.163100      0.8473000    
 H    3.305000       1.050200      -1.971400    
 H    2.767500      -1.198800       2.420000    
 H    5.178400       1.002000     -0.3745000    
 H    4.920700     -0.1212000       1.822500    
 H   0.7693000      -4.271400     -0.2285000    


%chk=000064993-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064993

0 1
S 0.667518 0.373514 -1.994442
O -1.315432 -1.915591 -0.083664
O -4.010793 0.114537 0.144811
O -1.554664 3.936018 1.158860
O 0.557683 -3.869687 1.102574
N -1.824465 0.285791 -0.737304
N -2.737568 2.013615 0.603352
C -0.637282 1.051055 -0.873848
C -0.478574 2.287737 -0.279092
C -1.915363 -1.108216 -1.158169
C -2.938567 0.763790 0.017395
C -1.575181 2.827755 0.548580
C 0.753316 3.146385 -0.424525
C -1.454033 -3.357191 -0.319491
C 2.039744 -0.004694 -0.793272
C -0.876543 -4.096291 0.890199
C 1.822062 -0.884941 0.289128
C 3.315713 0.542842 -1.055012
C 2.910610 -1.212922 1.130511
C 4.398758 0.195027 -0.213218
C 4.196956 -0.678153 0.881150
H -1.360516 -1.253020 -2.102170
H -2.986774 -1.355482 -1.269896
H -3.523334 2.376474 1.152123
H 1.580637 2.767953 0.204645
H 0.522206 4.172358 -0.096063
H 1.113330 3.157116 -1.467968
H -2.528157 -3.624928 -0.432226
H -0.922804 -3.646915 -1.255896
H -1.095741 -5.180389 0.778176
H -1.356797 -3.729554 1.811229
H 0.833464 -1.320732 0.469093
H 3.460623 1.230725 -1.894694
H 2.740681 -1.898285 1.967685
H 5.391536 0.614556 -0.409672
H 5.036792 -0.940314 1.534176
H 1.056061 -4.082743 0.272832


