%chk=000004553.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004553

0 1
 S   -2.048100       3.085300      0.2130000    
 O   0.9457000      0.4995000      0.5562000    
 O   -1.928500       4.420600     -0.3425000    
 O   -3.352800       2.503400      0.4580000    
 O   -2.708800      -4.086600     -0.2935000    
 O  -0.7388000      -4.162400      0.6722000    
 N   -1.062900       2.021500     -0.7149000    
 N   -1.658100      -3.526300      0.1023000    
 C    2.169300      3.5999998E-02 -4.6999999E-03
 C    2.851100       1.175800     -0.7606000    
 C    3.063500     -0.5189000       1.102900    
 C    4.215000      0.7556000      -1.298500    
 C    4.427600     -0.9394000      0.5652000    
 C    5.108000      0.1987000     -0.1922000    
 C  -0.2005000     -0.1156000      0.1275000    
 C   -1.203400      0.6149000     -0.5022000    
 C  -0.3453000      -1.484800      0.3300000    
 C   -2.362700     -2.9800000E-02 -0.9334000    
 C   -1.504600      -2.129400     -0.1015000    
 C   -2.513300      -1.401900     -0.7331000    
 C   -1.152300       3.083600       1.749900    
 H    1.987700     -0.7684000     -0.7326000    
 H    2.961000       2.044100     -9.7800002E-02
 H    2.210400       1.510900      -1.585000    
 H    2.579200      -1.370400       1.593600    
 H    3.190100      0.2397000       1.886500    
 H    4.705500       1.613800      -1.771400    
 H    4.081700     -5.5000000E-03  -2.077200    
 H    4.306800      -1.801200     -0.1026000    
 H    5.066700      -1.264300       1.393700    
 H    6.050400     -0.1572000     -0.6234000    
 H    5.361100       1.002700      0.5101000    
 H   0.4441000      -2.034100      0.8351000    
 H   -3.151800      0.5201000      -1.439800    
 H  -8.7200001E-02   2.325400     -0.8346000    
 H   -3.428500      -1.871200      -1.085100    
 H   -1.183500       2.083800       2.185500    
 H  -0.1248000       3.401400       1.563600    
 H   -1.640700       3.791800       2.423200    


%chk=000004553-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004553

0 1
S -2.041561 3.172192 -0.046029
O 1.163043 0.565314 0.199762
O -0.996674 4.093991 -0.894029
O -3.267775 2.388826 -0.774563
O -2.585495 -4.196655 -0.393844
O -0.349676 -4.204435 -0.855737
N -1.045124 1.833692 1.128506
N -1.433190 -3.615098 -0.460266
C 2.435206 0.001286 -0.354599
C 3.272329 1.210455 -0.793933
C 3.164121 -0.846645 0.705183
C 4.643102 0.741743 -1.344199
C 4.532395 -1.323840 0.152719
C 5.398883 -0.129173 -0.311700
C 0.009746 -0.209475 0.235570
C -1.158223 0.497140 0.706440
C -0.083231 -1.561254 -0.139173
C -2.403908 -0.183974 0.767447
C -1.344641 -2.194178 -0.061235
C -2.510344 -1.529205 0.381103
C -2.763720 4.236086 1.353125
H 2.177233 -0.616198 -1.240757
H 3.425538 1.870511 0.082454
H 2.718673 1.791869 -1.553264
H 2.550439 -1.712598 1.014569
H 3.321893 -0.218269 1.603770
H 5.247878 1.624710 -1.622837
H 4.487504 0.157179 -2.274272
H 4.366565 -2.012403 -0.701331
H 5.059612 -1.906416 0.931043
H 6.348779 -0.495183 -0.745348
H 5.664857 0.493007 0.567413
H 0.767681 -2.141368 -0.500877
H -3.282977 0.363580 1.116150
H -0.061014 2.161412 1.016817
H -3.459235 -2.068240 0.417331
H -3.357086 3.556544 1.977501
H -1.909308 4.662103 1.895175
H -3.373996 5.004167 0.857814


