%chk=000005002.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005002

0 1
 S    4.030600      0.6729000       1.599300    
 O   -6.358500     -0.2356000     -0.3303000    
 O   -9.096700      0.2584000     -3.4400001E-02
 N   -2.843900      0.1445000      0.7124000    
 N  -1.7600000E-02 -0.1886000      0.6495000    
 N    1.944500      -1.347000      0.3851000    
 C   -2.233900     -0.9172000     -0.1015000    
 C   -1.951800       1.310900      0.7821000    
 C  -0.8885000      -1.349000      0.4842000    
 C  -0.5999000      0.9290000       1.387400    
 C   -4.146100      0.5255000      0.1672000    
 C    1.290000     -0.2176000      0.3051000    
 C   -5.104200     -0.6547000      0.1911000    
 C    1.876100       1.083500     -0.1394000    
 C    3.059400       1.593900      0.4169000    
 C    1.169900       1.831900      -1.091400    
 C    3.295200      -1.514900      3.3000000E-02
 C    4.347900     -0.7446000      0.5582000    
 C    3.517500       2.855500      1.4300000E-02
 C   -7.302600      -1.297700     -0.3350000    
 C    1.640700       3.082300      -1.489300    
 C    2.810700       3.595000     -0.9349000    
 C    3.609000      -2.589000     -0.8134000    
 C    5.676700      -1.047500      0.2284000    
 C   -8.622400     -0.7843000     -0.8776000    
 C    4.932300      -2.882500      -1.145100    
 C    5.965800      -2.113000     -0.6220000    
 H   -2.841600      -1.825400     -0.1205000    
 H   -2.096000     -0.5825000      -1.138400    
 H   -1.807100       1.747100     -0.2145000    
 H   -2.402600       2.085400       1.414500    
 H   -1.030700      -1.836600       1.456600    
 H  -0.4423000      -2.090300     -0.1896000    
 H   3.9999999E-02   1.815800       1.431500    
 H  -0.7412000      0.6163000       2.430500    
 H   -4.062000      0.9171000     -0.8556000    
 H   -4.584400       1.334800      0.7656000    
 H   -5.236100      -1.019600       1.217000    
 H   -4.763200      -1.478900     -0.4403000    
 H   0.2583000       1.449000      -1.542800    
 H    4.432600       3.274800      0.4265000    
 H   -6.938500      -2.117400     -0.9640000    
 H   -7.437300      -1.660800      0.6905000    
 H    1.093600       3.657500      -2.230600    
 H    3.176000       4.570000      -1.244100    
 H    2.814800      -3.213800      -1.216800    
 H    6.498800     -0.4533000      0.6208000    
 H   -9.374400      -1.577500     -0.9189000    
 H   -8.493500     -0.3620000      -1.878600    
 H    5.154400      -3.716400      -1.804500    
 H    6.996600      -2.341000     -0.8765000    
 H   -9.231000     -0.1192000      0.8516000    


%chk=000005002-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005002

0 1
S 3.871621 0.425827 1.868942
O -6.588714 -0.503472 -0.264464
O -9.482220 0.271894 0.123277
N -2.926244 0.065017 0.232115
N -0.042029 0.003080 0.222406
N 1.931331 -1.199720 -0.073638
C -2.183040 -1.020026 -0.459616
C -2.137992 1.321249 0.210887
C -0.811563 -1.258330 0.196049
C -0.772523 1.105358 0.886350
C -4.306531 0.245410 -0.278920
C 1.347591 -0.022862 0.074059
C -5.265855 -0.809145 0.290524
C 2.027708 1.309375 -0.084910
C 3.193750 1.642348 0.653456
C 1.548289 2.237090 -1.050143
C 3.301454 -1.463756 -0.190462
C 4.320503 -0.868231 0.622249
C 3.838245 2.884419 0.465390
C -7.620373 -1.424858 0.204001
C 2.191969 3.476615 -1.244872
C 3.331537 3.809348 -0.474843
C 3.706267 -2.492983 -1.094129
C 5.666335 -1.281312 0.529660
C -8.969894 -1.004809 -0.382104
C 5.049940 -2.899054 -1.191511
C 6.040252 -2.300497 -0.374472
H -2.767768 -1.955649 -0.403863
H -2.031215 -0.777044 -1.542852
H -1.972132 1.692173 -0.834005
H -2.695155 2.099294 0.764144
H -0.952272 -1.635789 1.230452
H -0.221719 -2.004306 -0.358710
H -0.178296 2.030400 0.851121
H -0.941435 0.839579 1.951878
H -4.358303 0.218621 -1.394134
H -4.675032 1.238029 0.037129
H -5.276883 -0.747580 1.399999
H -4.960277 -1.840089 0.002535
H 0.670130 1.969180 -1.648694
H 4.736459 3.113928 1.047199
H -7.387261 -2.464408 -0.125810
H -7.660122 -1.428420 1.320328
H 1.808880 4.178865 -1.993107
H 3.831569 4.773818 -0.615198
H 2.928202 -2.961574 -1.705335
H 6.416684 -0.797594 1.163997
H -9.700229 -1.824134 -0.198908
H -8.868520 -0.856096 -1.469532
H 5.327047 -3.688740 -1.899151
H 7.085385 -2.620885 -0.438412
H -9.434149 0.273649 1.112949


