%chk=000097806.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097806

0 1
 S    4.462700      -2.643200      0.5564000    
 O   -1.034200      0.4052000      0.3743000    
 O    2.500000       1.818100      -1.936400    
 O    4.385300       2.165000     -0.7372000    
 O   0.2458000       1.117700       2.143100    
 N    1.169100      0.7180000      5.1899999E-02
 C    2.536800       1.049700      0.3587000    
 C    3.308800     -0.1660000      0.8898000    
 C    3.552600      -1.246400     -0.1664000    
 C    3.247600       1.713500     -0.8114000    
 C   0.1378000      0.7795000      0.9689000    
 C   -2.194000      0.4225000       1.214200    
 C   -3.385800     -1.1500000E-02  0.4126000    
 C   -4.140900      0.9378000     -0.2673000    
 C   -3.724300      -1.358900      0.3563000    
 C    4.608100      -3.658100     -0.9316000    
 C   -5.248800      0.5345000      -1.012700    
 C   -4.832100      -1.762200     -0.3893000    
 C   -5.594300     -0.8153000      -1.073700    
 H    2.504400       1.807900       1.151900    
 H    2.762300     -0.5942000       1.740500    
 H    4.277200      0.1809000       1.274600    
 H    2.600100      -1.615700     -0.5594000    
 H    4.140200     -0.8451000     -0.9977000    
 H   0.9465000      0.4095000     -0.8899000    
 H   -2.043800     -0.2524000       2.066100    
 H   -2.350300       1.434400       1.608500    
 H   -3.879500       1.991700     -0.2285000    
 H   -3.136300      -2.105000      0.8837000    
 H    5.143900      -4.579400     -0.6883000    
 H    5.168200      -3.124800      -1.704100    
 H    3.617700      -3.922700      -1.311200    
 H    2.984800       2.272400      -2.658000    
 H   -5.842000       1.271400      -1.546200    
 H   -5.101000      -2.813400     -0.4376000    
 H   -6.456600      -1.129500      -1.654500    


%chk=000097806-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097806

0 1
S 2.954339 -3.110438 -0.255922
O -0.929246 1.793508 0.048205
O 3.429159 2.220285 -1.110342
O 4.931528 1.601005 0.551727
O -0.020300 0.865407 2.027607
N 1.302911 1.389292 0.166692
C 2.559818 0.987027 0.805183
C 2.751836 -0.564548 0.880107
C 2.759653 -1.241930 -0.498508
C 3.763529 1.622768 0.117402
C 0.114417 1.303347 0.851730
C -2.305505 1.684269 0.646304
C -2.969664 0.374069 0.282071
C -3.823367 0.290160 -0.846937
C -2.744999 -0.786751 1.068015
C 2.667255 -3.651486 -2.035289
C -4.441491 -0.932992 -1.190794
C -3.360360 -2.010297 0.723706
C -4.210059 -2.086351 -0.405356
H 2.558519 1.347944 1.852238
H 1.924618 -0.962141 1.494351
H 3.699739 -0.762790 1.413807
H 1.807766 -1.065818 -1.029467
H 3.598854 -0.889108 -1.125188
H 1.321214 1.797029 -0.769341
H -2.205351 1.801931 1.739056
H -2.832030 2.547644 0.210296
H -4.002215 1.184322 -1.457076
H -2.079505 -0.720766 1.936116
H 2.757114 -4.748886 -2.049009
H 3.429194 -3.213062 -2.699911
H 1.657016 -3.360317 -2.365475
H 4.244441 2.607902 -1.528266
H -5.102085 -0.987002 -2.063408
H -3.180740 -2.901687 1.335000
H -4.690002 -3.035641 -0.669225


