%chk=000067243.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067243

0 1
 S   -6.090600      -1.946300      0.1846000    
 O   -4.741500       2.943300     -0.1774000    
 O   -6.387200      -2.372400      -1.365600    
 O   -5.487000      -3.100600      0.8342000    
 O   -7.296400      -1.337600      0.7244000    
 O    2.210400       2.433400     -0.1387000    
 O    8.303000     -0.6660000      0.4806000    
 O    7.423400      -2.472800     -0.4030000    
 N    1.142000      0.3446000      1.5799999E-02
 N    7.318000      -1.299700      3.0099999E-02
 C   -2.545100     -1.8400000E-02  4.2100001E-02
 C   -2.942100       1.336300     -5.8100000E-02
 C   -4.883500     -0.6879000      9.1200002E-02
 C   -3.528300      -1.018500      0.1158000    
 C   -1.176600     -0.3328000      6.5300003E-02
 C  -0.2133000      0.6737000     -8.8999998E-03
 C   -4.310600       1.650900     -8.1799999E-02
 C   -1.959000       2.336500     -0.1323000    
 C   -5.273900      0.6443000     -7.4999998E-03
 C  -0.6037000       2.005900     -0.1077000    
 C    2.241700       1.210900     -4.8200000E-02
 C    3.574000      0.5521000     -2.8100001E-02
 C    4.654200       1.251200      0.4676000    
 C    3.686000     -0.7369000     -0.5054000    
 C    6.045500     -0.6705000      1.0300000E-02
 C    5.904400      0.6329000      0.4869000    
 C    4.936200      -1.355400     -0.4861000    
 H   -3.222500      -2.060600      0.1851000    
 H  -0.8629000      -1.373000      0.1420000    
 H   -2.206100       3.390100     -0.2268000    
 H   -6.325500      0.9178000     -3.5799999E-02
 H   8.0499999E-02   2.840000     -0.1733000    
 H    1.319300     -0.6486000      0.1351000    
 H    4.560300       2.263900      0.8481000    
 H    2.859900      -1.291300     -0.9380000    
 H   -4.087100       3.547200      0.2063000    
 H    6.746000       1.196300      0.8819000    
 H    5.010900      -2.368300     -0.8739000    
 H   -5.615700      -2.739500      -1.858200    


%chk=000067243-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000067243

0 1
S -6.111121 -2.058854 0.194647
O -4.916951 2.970566 -0.150117
O -6.352116 -2.236237 -1.639455
O -5.405419 -3.400211 0.758804
O -7.497147 -1.524674 0.835900
O 2.247069 2.489885 0.021497
O 8.513532 -0.605277 0.487528
O 7.633705 -2.508871 -0.412532
N 1.181700 0.393182 0.034777
N 7.528226 -1.301748 0.031810
C -2.544644 0.019061 0.047744
C -2.984237 1.397362 -0.051242
C -4.851247 -0.678401 0.084349
C -3.512155 -1.035776 0.112168
C -1.146379 -0.265531 0.074192
C -0.190833 0.760351 0.006690
C -4.401928 1.676119 -0.067594
C -1.983899 2.418928 -0.118307
C -5.343153 0.643105 -0.003319
C -0.621743 2.127898 -0.090744
C 2.305712 1.222963 0.013749
C 3.634900 0.505606 0.003948
C 4.756999 1.231490 0.482195
C 3.815099 -0.814661 -0.489936
C 6.180108 -0.672497 0.019452
C 6.035796 0.647633 0.499311
C 5.089818 -1.412511 -0.484662
H -3.208657 -2.083762 0.196403
H -0.830558 -1.314150 0.148998
H -2.264470 3.477665 -0.195492
H -6.413220 0.864275 -0.002875
H 0.129125 2.917706 -0.135537
H 1.359084 -0.609562 0.127951
H 4.600157 2.257477 0.827958
H 2.980305 -1.375624 -0.926010
H -4.207871 3.658929 -0.172445
H 6.912037 1.185339 0.869989
H 5.256305 -2.422923 -0.866510
H -7.114826 -2.870069 -1.780683


