%chk=000024651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024651

0 1
 S    3.872600       1.396500     -0.3669000    
 O   -2.440100     -0.9928000     -7.0900001E-02
 N   -1.889400      -4.593500      0.3993000    
 C   -1.997000      0.1974000      0.6074000    
 C  -0.5563000      0.4879000      0.3546000    
 C   -2.928800       1.351700      0.2557000    
 C   5.9000002E-03  0.2026000     -0.8898000    
 C   -1.919600      -2.150700      0.5531000    
 C    1.354300      0.4722000      -1.124200    
 C   0.2299000       1.042900       1.364400    
 C    2.140200       1.027400     -0.1143000    
 C   -2.415600      -3.375600     -0.1989000    
 C    1.578100       1.312600       1.130000    
 C    4.649500      0.3627000      0.9095000    
 C    6.173400      0.4802000      0.9273000    
 C   -3.568900       1.379000     -0.9833000    
 C   -3.140900       2.381100       1.173000    
 C    1.909900      0.1520000      -2.474900    
 C    6.840900      2.2800000E-02 -0.3725000    
 C   -4.421100       2.435400      -1.305000    
 C   -3.993300       3.437300      0.8514000    
 C   -2.709800      -5.749300      2.8700000E-02
 C  -0.4983000      -4.810600     -5.7000001E-03
 C   -4.633300       3.464500     -0.3875000    
 C    8.357500      6.6200003E-02 -0.2602000    
 H   -2.143600      1.2600000E-02   1.682200    
 H  -0.6064000     -0.2218000      -1.681800    
 H  -0.8268000      -2.116900      0.5569000    
 H   -2.265900      -2.197100       1.593500    
 H  -0.1940000       1.271600       2.338600    
 H   -3.513000      -3.360700     -0.1431000    
 H   -2.179600      -3.298900      -1.268800    
 H    2.163700       1.757000       1.930700    
 H    4.270500      0.6569000       1.893300    
 H    4.360800     -0.6806000      0.7409000    
 H    6.551900     -0.1309000       1.756600    
 H    6.464000       1.515200       1.148000    
 H   -3.412100      0.5961000      -1.720200    
 H   -2.650700       2.372400       2.142700    
 H    1.152300     -0.2851000      -3.135100    
 H    2.722000     -0.5784000      -2.395800    
 H    2.277200       1.058700      -2.966800    
 H    6.540200      0.6588000      -1.211600    
 H    6.528300      -1.000700     -0.6101000    
 H   -4.917500       2.458300      -2.270800    
 H   -4.158700       4.238600       1.565700    
 H   -2.734100      -5.906700      -1.055800    
 H   -2.327900      -6.660700      0.5022000    
 H   -3.738500      -5.622000      0.3839000    
 H  -0.1136000      -5.735100      0.4407000    
 H  -0.3912000      -4.891400      -1.093700    
 H   0.1600000      -4.012200      0.3491000    
 H   -5.296400       4.287400     -0.6383000    
 H    8.706000       1.082600     -5.0999999E-02
 H    8.816400     -0.2645000      -1.197200    
 H    8.711000     -0.5907000      0.5410000    


%chk=000024651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000024651

0 1
S 3.995552 0.946347 -0.537426
O -2.534249 -1.092784 0.008649
N -2.035501 -4.796745 0.189594
C -2.037493 0.127642 0.679823
C -0.548759 0.350327 0.414794
C -2.922927 1.289886 0.219172
C -0.084093 0.629869 -0.894924
C -1.909612 -2.325982 0.508070
C 1.285325 0.808894 -1.185150
C 0.398109 0.246522 1.456394
C 2.225326 0.704580 -0.111057
C -2.637080 -3.491771 -0.177162
C 1.776149 0.425135 1.200041
C 4.858789 0.744813 1.139679
C 6.375527 0.936186 0.958482
C -4.084008 1.069778 -0.559476
C -2.595203 2.612980 0.611078
C 1.744882 1.108251 -2.598956
C 7.063047 -0.165099 0.117756
C -4.902478 2.157887 -0.942650
C -3.416394 3.697836 0.234778
C -2.989596 -5.917543 0.069386
C -0.775633 -5.076331 -0.530571
C -4.575224 3.474154 -0.545855
C 8.588620 0.044135 0.013862
H -2.170037 -0.006665 1.780092
H -0.813817 0.709428 -1.709608
H -0.826494 -2.325081 0.272191
H -2.025550 -2.401132 1.610449
H 0.065152 0.022817 2.478054
H -3.691524 -3.483976 0.153306
H -2.638982 -3.315897 -1.281809
H 2.483047 0.339766 2.030077
H 4.442288 1.505268 1.822893
H 4.631692 -0.264765 1.526431
H 6.831642 0.954059 1.970189
H 6.574999 1.929982 0.509999
H -4.329780 0.047803 -0.858833
H -1.688230 2.793974 1.200739
H 0.889104 1.149738 -3.293084
H 2.450213 0.337485 -2.965695
H 2.278418 2.076949 -2.652517
H 6.617492 -0.188236 -0.895276
H 6.850704 -1.153572 0.573626
H -5.797184 1.976115 -1.549507
H -3.151115 4.715001 0.545131
H -3.331485 -6.103873 -0.981062
H -2.517374 -6.845852 0.439389
H -3.881336 -5.718487 0.689691
H -0.326413 -6.007693 -0.141388
H -0.921688 -5.195821 -1.635006
H -0.050152 -4.260817 -0.371080
H -5.212036 4.315738 -0.841673
H 8.824361 1.013498 -0.464427
H 9.063190 -0.752294 -0.587636
H 9.061916 0.039270 1.014211


