%chk=000085347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085347

0 1
 S    3.655000      0.6717000     -0.1071000    
 S    6.962500       1.627800     -0.2582000    
 O   -5.217400       1.502000      -2.113500    
 O   -5.372200      0.3672000       2.492000    
 O    5.722100       2.416100     -0.9652000    
 O    7.123300       2.178700       1.074500    
 O    8.070400       1.580100      -1.192500    
 N   -2.928300      6.5300003E-02  5.3500000E-02
 N    3.223900      -1.856800      0.1635000    
 C   -4.912900       1.423900      0.3230000    
 C   -3.426600       1.289800      0.3402000    
 C   -5.498800       1.037700      -1.024700    
 C   -5.577200      0.4652000       1.296700    
 C   -6.490500     -1.6899999E-02 -0.8030000    
 C   -6.536000     -0.3501000      0.5480000    
 C  -0.7150000      0.9711000      0.3509000    
 C   -1.591300     -9.4899997E-02  5.8100000E-02
 C   -2.650400       2.391200      0.6383000    
 C    1.203400     -0.4860000      5.3700000E-02
 C   -1.273200       2.223000      0.6423000    
 C   -7.292000     -0.6484000      -1.733900    
 C   -7.385100      -1.329300       1.025800    
 C    5.031100     -0.3636000     -2.1199999E-02
 C   0.6755000      0.7682000      0.3467000    
 C    6.393800     -2.9800000E-02 -7.7799998E-02
 C    2.631000     -0.6901000      5.1300000E-02
 C    4.600000      -1.685800      0.1236000    
 C   -1.036300      -1.338400     -0.2313000    
 C    7.332400      -1.060700      1.4700000E-02
 C   0.3461000      -1.540500     -0.2355000    
 C   -8.159500      -1.640300      -1.268200    
 C   -8.205500      -1.977500      9.8499998E-02
 C    5.569300      -2.708300      0.2148000    
 C    6.927700      -2.383100      0.1592000    
 C    8.800700     -0.7787000     -3.7200000E-02
 H   -5.256500       2.437500      0.5614000    
 H   -3.084300       3.359100      0.8633000    
 H  -0.6382000       3.075000      0.8741000    
 H   -7.256900     -0.3931000      -2.786800    
 H   -7.420900      -1.593000       2.076500    
 H    1.298800       1.620200      0.6068000    
 H   -1.687000      -2.180100     -0.4619000    
 H   0.7258000      -2.531700     -0.4714000    
 H   -8.807300      -2.160800      -1.968700    
 H   -8.888100      -2.753800      0.4343000    
 H    5.263900      -3.744700      0.3272000    
 H    7.657600      -3.186100      0.2288000    
 H    9.132700     -0.6104000      -1.065900    
 H    9.087200      5.4900002E-02  0.6110000    
 H    9.372400      -1.637900      0.3355000    
 H    4.957400       2.619700     -0.3770000    


%chk=000085347-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085347

0 1
S 3.777105 0.946754 0.083428
S 7.421866 1.513876 0.037085
O -5.584999 1.640849 -2.160056
O -5.610484 0.561095 2.574880
O 5.927964 2.617171 -0.013759
O 8.150154 1.736656 1.466572
O 8.283232 1.746588 -1.307837
N -3.084533 0.195268 0.229708
N 3.143754 -1.676168 -0.007575
C -5.140701 1.500357 0.302312
C -3.622978 1.434216 0.278121
C -5.759379 1.062333 -1.060191
C -5.764092 0.514259 1.330983
C -6.593569 -0.147350 -0.808846
C -6.596220 -0.465101 0.573244
C -0.830624 1.235672 0.190312
C -1.706762 0.080493 0.188234
C -2.833559 2.631660 0.282976
C 1.131842 -0.247118 0.100815
C -1.444074 2.529898 0.238185
C -7.321155 -0.921092 -1.737513
C -7.328002 -1.565316 1.066469
C 5.105859 -0.277925 0.000189
C 0.582207 1.044605 0.145614
C 6.507152 -0.154681 -0.025513
C 2.577571 -0.482299 0.056816
C 4.540549 -1.606216 -0.039341
C -1.126113 -1.229153 0.140794
C 7.379764 -1.274361 -0.084086
C 0.253510 -1.391742 0.097957
C -8.050296 -2.028045 -1.248379
C -8.053567 -2.346750 0.139316
C 5.384117 -2.736737 -0.103292
C 6.775797 -2.563752 -0.123240
C 8.892887 -1.154190 -0.103705
H -5.459686 2.533824 0.532606
H -3.329564 3.605736 0.318507
H -0.816218 3.428140 0.239560
H -7.310524 -0.663180 -2.801076
H -7.322766 -1.797914 2.135839
H 1.231836 1.929347 0.144955
H -1.806560 -2.085531 0.141382
H 0.708693 -2.385489 0.062093
H -8.623240 -2.652904 -1.942086
H -8.629339 -3.211029 0.487925
H 4.928672 -3.730046 -0.133100
H 7.431843 -3.438637 -0.169009
H 9.243779 -0.633230 -1.012737
H 9.268354 -0.580841 0.763792
H 9.353220 -2.154294 -0.077740
H 6.203877 3.486894 0.395614


