%chk=000027104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027104

0 1
 S   -5.052100       2.106700      0.1813000    
 O  -0.8189000      -1.741700     -5.7000001E-03
 N    3.313200     -0.8508000     -0.4690000    
 C   7.9999998E-02  -2.836000     -0.2569000    
 C   -1.973800      -2.250400      0.6846000    
 C  -0.4139000      -3.999400      0.5867000    
 C   -1.904400      -3.764900      0.5800000    
 C    1.501700      -2.417400      6.4000003E-02
 C   -3.234000      -1.660100      8.1900001E-02
 C    1.933500      -1.222000     -0.7817000    
 C   -3.355900     -0.1269000      0.2760000    
 C    3.771200      0.2237000      -1.360900    
 C    3.432700     -0.4570000      0.9419000    
 C    5.229200      0.5903000      -1.079800    
 C    4.879700     -0.1129000       1.298300    
 C    5.433200      0.9722000      0.3819000    
 C   -2.238500      0.6195000     -0.4395000    
 C   -4.757900      0.3430000     -0.1679000    
 C   -1.315800       1.384300      0.2677000    
 C   -2.197600      0.4927000      -1.817100    
 C  -0.3006000       2.053900     -0.4562000    
 C   -1.199100       1.150900      -2.528900    
 C   -1.360100       1.511200       1.665700    
 C  -0.2561000       1.926900      -1.854100    
 C   0.6404000       2.830700      0.2392000    
 C  -0.4172000       2.287400       2.340200    
 C   0.5812000       2.946000       1.628300    
 H  -1.0600000E-02  -3.085300      -1.321500    
 H   -1.877900      -1.949500       1.735400    
 H  -3.6300000E-02  -3.934100       1.614400    
 H  -0.1257000      -4.972000      0.1782000    
 H   -2.328300      -4.115400     -0.3690000    
 H   -2.427600      -4.271300       1.395900    
 H    2.183700      -3.262400     -8.9599997E-02
 H    1.508600      -2.166000       1.128600    
 H   -3.286400      -1.910900     -0.9850000    
 H   -4.100300      -2.141800      0.5546000    
 H    1.261200     -0.3751000     -0.6173000    
 H    1.857600      -1.499300      -1.840500    
 H   -3.342900      1.2300000E-02   1.356700    
 H    3.141100       1.116300      -1.253600    
 H    3.697500     -0.1029000      -2.405300    
 H    3.167800      -1.269800       1.622400    
 H    2.781200      0.3961000       1.170700    
 H    5.532500       1.422600      -1.724900    
 H    5.876500     -0.2601000      -1.329100    
 H    4.935600      0.2216000       2.340500    
 H    5.503400      -1.012400       1.217000    
 H    4.921200       1.920400      0.5871000    
 H    6.498100       1.129800      0.5849000    
 H   -4.931200      0.1717000      -1.235200    
 H   -5.524700     -0.2219000      0.3741000    
 H   -2.917600     -0.1036000      -2.368500    
 H   -4.178800       2.596700     -0.7105000    
 H   -1.152600       1.060300      -3.610200    
 H   -2.096800       1.034700       2.299700    
 H   0.5168000       2.431000      -2.430500    
 H    1.430800       3.352200     -0.2966000    
 H  -0.4608000       2.377300       3.421800    
 H    1.315900       3.548700       2.154000    


%chk=000027104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027104

0 1
S -5.060479 2.031471 1.112274
O -0.816842 -1.863054 -0.170816
N 3.449344 -0.900067 -0.131089
C 0.167228 -2.959345 -0.443874
C -1.999631 -2.421885 0.531123
C -0.434982 -4.230971 0.204945
C -1.955157 -3.938181 0.236700
C 1.546859 -2.551186 0.092947
C -3.269297 -1.702666 0.051940
C 2.094338 -1.290922 -0.607040
C -3.325797 -0.185055 0.421141
C 4.096468 0.045800 -1.079305
C 3.422437 -0.327693 1.241761
C 5.543287 0.366803 -0.653346
C 4.846133 -0.017731 1.747539
C 5.575141 0.942762 0.780743
C -2.444709 0.683127 -0.490320
C -4.801093 0.294353 0.396335
C -1.364235 1.506326 0.011078
C -2.714017 0.690985 -1.867298
C -0.574310 2.284911 -0.930510
C -1.945551 1.462180 -2.787595
C -1.022801 1.604371 1.403723
C -0.884948 2.241960 -2.327892
C 0.507721 3.095906 -0.449580
C 0.032890 2.405893 1.843636
C 0.811784 3.158957 0.910006
H 0.210966 -3.068393 -1.548672
H -1.869424 -2.249589 1.624625
H -0.044541 -4.350454 1.233739
H -0.185975 -5.143390 -0.363130
H -2.410332 -4.142021 -0.751443
H -2.491286 -4.532099 0.997116
H 2.262511 -3.384293 -0.057712
H 1.453120 -2.386262 1.183211
H -3.363182 -1.841195 -1.041578
H -4.134884 -2.212574 0.524807
H 1.355794 -0.460682 -0.490712
H 2.174264 -1.501927 -1.692519
H -2.987181 -0.095716 1.468804
H 3.514176 1.004442 -1.150879
H 4.091697 -0.416413 -2.084842
H 2.937145 -1.051432 1.920505
H 2.807421 0.611483 1.265447
H 5.989283 1.080915 -1.372804
H 6.139833 -0.565476 -0.690444
H 4.786977 0.420250 2.763087
H 5.412844 -0.966216 1.823165
H 5.065265 1.928900 0.790452
H 6.617843 1.112984 1.110493
H -5.218755 0.277770 -0.624706
H -5.427821 -0.345516 1.041618
H -3.531738 0.074337 -2.260485
H -4.222333 2.676616 0.216580
H -2.190734 1.432553 -3.854989
H -1.602604 1.048096 2.145110
H -0.281050 2.834787 -3.025344
H 1.091405 3.673608 -1.176775
H 0.265839 2.462329 2.912812
H 1.636779 3.785327 1.266937


