%chk=000050368.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050368

0 1
 S    1.215200       1.617600     -0.1855000    
 O  -0.8554000      -2.204000     -2.5200000E-02
 O   -6.472700      0.4684000     -0.3698000    
 N    1.165100      -1.062200      0.1723000    
 N  -0.9401000      0.1091000      0.3027000    
 N    3.274200      1.3200000E-02 -7.3299997E-02
 C    1.852800      -2.350700      0.2684000    
 C    3.922000       1.301500     -0.2687000    
 C    1.984600      6.8700001E-02 -1.1400000E-02
 C  -0.2684000      -1.127900      0.1366000    
 C  -0.2255000       1.265800      0.8293000    
 C    2.784400      -2.365000       1.473300    
 C    2.610900      -2.649600      -1.019100    
 C    3.555000       2.209000      0.9050000    
 C    5.431300       1.065100     -0.3144000    
 C    3.430000       1.893900      -1.588900    
 C   -2.368700      0.2012000      0.1291000    
 C   -3.012600     -0.6553000     -0.7574000    
 C   -3.090800       1.147200      0.8492000    
 C   -4.394300     -0.5649000     -0.9260000    
 C   -4.472500       1.237600      0.6807000    
 C   -5.124400      0.3815000     -0.2068000    
 H    1.124700      -3.154300      0.4217000    
 H  -0.8156000       2.182400      0.8010000    
 H   7.7100001E-02   1.056500       1.860800    
 H    3.088300      -3.396900       1.687000    
 H    3.712000      -1.803300       1.343000    
 H    2.278700      -1.983400       2.367400    
 H    1.970300      -2.499000      -1.895300    
 H    2.926200      -3.699800      -1.022500    
 H    3.520300      -2.062000      -1.162500    
 H    3.032700       1.723100       1.739900    
 H    4.488100       2.543400       1.385500    
 H    3.095000       3.170000      0.6435000    
 H    5.699200      0.3837000      -1.130500    
 H    5.786600      0.6042000      0.6148000    
 H    5.981200       2.001400     -0.4602000    
 H    2.988100       2.896600      -1.531700    
 H    4.308300       2.087500      -2.225000    
 H    2.838000       1.221700      -2.224500    
 H   -2.484100      -1.362100      -1.388200    
 H   -2.642200       1.802000       1.588900    
 H   -4.888900      -1.227900      -1.631000    
 H   -5.037900       1.969100       1.251800    
 H   -6.755200     -0.1984000      -1.019100    


%chk=000050368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050368

0 1
S 0.857161 1.933091 0.273210
O -0.765585 -2.159725 -0.079456
O -6.566652 0.405767 -0.912610
N 1.115526 -0.862996 0.507866
N -1.115820 0.045289 0.631438
N 3.081379 0.233679 -0.213031
C 1.867257 -2.173400 0.701517
C 4.044259 1.331966 -0.522669
C 1.851741 0.311545 0.150424
C -0.299417 -1.049275 0.303412
C -0.512811 1.165451 1.336445
C 2.950979 -2.052115 1.790634
C 2.394258 -2.759175 -0.625846
C 4.305045 2.206034 0.736291
C 5.360944 0.624925 -0.934533
C 3.546732 2.201418 -1.711772
C -2.497952 0.098824 0.219766
C -2.885176 -0.303526 -1.081114
C -3.482550 0.583078 1.117912
C -4.233478 -0.218313 -1.478726
C -4.829072 0.688385 0.720012
C -5.206010 0.285280 -0.580425
H 1.081600 -2.855478 1.072517
H -1.251056 1.959370 1.506108
H -0.045879 0.848180 2.282260
H 3.310842 -3.066921 2.041876
H 3.805954 -1.451620 1.444391
H 2.541468 -1.597871 2.711384
H 1.564324 -2.882663 -1.341826
H 2.833205 -3.756265 -0.434198
H 3.167063 -2.106989 -1.060887
H 4.667380 1.576771 1.569501
H 5.080505 2.960234 0.509458
H 3.393407 2.732787 1.066143
H 5.193498 -0.012827 -1.820589
H 5.723538 -0.019464 -0.114119
H 6.143896 1.367433 -1.174273
H 2.644319 2.783831 -1.456826
H 4.339431 2.913587 -2.005286
H 3.313730 1.562483 -2.582559
H -2.137631 -0.697939 -1.773637
H -3.205446 0.857760 2.141852
H -4.521797 -0.538636 -2.488122
H -5.596297 1.059385 1.405320
H -6.735817 0.083344 -1.832335


