%chk=000004224.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004224

0 1
 S  -0.7372000       1.921900      0.1405000    
 O  -0.6478000       2.624500       1.407200    
 O   -1.147800       2.644900      -1.049100    
 O  -0.4344000      -1.826600     -0.3179000    
 O    4.577000     -0.3846000     -0.9608000    
 O    1.334000      -2.933000       1.400400    
 N   -1.723700      0.5201000      0.3302000    
 N   0.4243000      -1.954000       1.822000    
 C   -3.193200      0.6834000      0.1909000    
 C   -3.808200     -0.6131000     -0.3480000    
 C   -3.770700       1.044500       1.554800    
 C   -3.233200      -1.013900      -1.710000    
 C   -1.370900     -0.4349000       1.411200    
 C   0.8588000       1.229300     -0.1905000    
 C   -3.843100      -2.315000      -2.208700    
 C  -0.4242000      -1.467200      0.8570000    
 C    1.706000      0.9567000      0.8675000    
 C    1.223800      0.9761000      -1.499600    
 C    2.963300      0.4114000      0.6071000    
 C    2.481000      0.4305000      -1.760100    
 C    3.350700      0.1483000     -0.7067000    
 C    5.415500     -0.6493000      0.1628000    
 H   -3.407200       1.490800     -0.5186000    
 H   -3.683100      -1.446500      0.3522000    
 H   -4.891900     -0.4696000     -0.4508000    
 H   -3.227300       1.871800       2.022500    
 H   -3.802000      0.2131000       2.264700    
 H   -4.809600       1.373100       1.431400    
 H   -3.456500     -0.2228000      -2.436600    
 H   -2.149100      -1.113000      -1.693100    
 H   -2.211700      -1.003400       1.812700    
 H  -0.9239000      9.7400002E-02   2.257700    
 H   -3.442700      -2.567300      -3.195700    
 H   -4.931100      -2.231700      -2.295200    
 H   -3.613200      -3.140700      -1.527700    
 H    1.422300       1.153100       1.896700    
 H   0.5570000       1.180700      -2.331400    
 H    3.587800      0.2151000       1.471900    
 H    2.776400      0.2254000      -2.785400    
 H   0.3709000      -1.773400       2.817800    
 H    2.116500      -2.381000       1.233300    
 H    4.974700      -1.402500      0.8248000    
 H    5.675700      0.2711000      0.6965000    
 H    6.349700      -1.070200     -0.2230000    


%chk=000004224-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004224

0 1
S -0.450744 1.514063 1.663205
O 0.054912 0.993336 3.139536
O -0.977489 3.056078 1.538311
O -2.429982 -2.867522 2.452111
O 3.979715 0.974720 -2.400587
O -0.032561 -2.954698 3.678408
N -1.652966 0.155325 1.131970
N -0.660683 -1.705463 3.347098
C -2.421477 0.505146 -0.113535
C -2.871630 -0.827006 -0.775382
C -3.596258 1.487398 0.106813
C -1.713379 -1.706272 -1.292679
C -2.416074 -0.375499 2.301494
C 0.895433 1.282153 0.387229
C -2.214220 -3.048876 -1.865484
C -1.859031 -1.744343 2.701115
C 1.560157 0.048093 0.313010
C 1.231100 2.390666 -0.414499
C 2.607862 -0.094761 -0.620704
C 2.275182 2.244302 -1.342878
C 2.963224 1.005040 -1.448704
C 4.750643 -0.267051 -2.550970
H -1.681944 0.982687 -0.789401
H -3.480312 -1.411480 -0.056828
H -3.545347 -0.561703 -1.615489
H -3.249742 2.412352 0.599354
H -4.401371 1.036930 0.716262
H -4.037642 1.759922 -0.868900
H -1.147495 -1.150635 -2.068819
H -1.009269 -1.896560 -0.461372
H -3.474415 -0.512777 2.029232
H -2.368832 0.315730 3.164691
H -1.375896 -3.660779 -2.246024
H -2.923170 -2.892425 -2.700957
H -2.732694 -3.635222 -1.084463
H 1.271493 -0.787836 0.957528
H 0.691084 3.335910 -0.299653
H 3.131690 -1.051602 -0.690977
H 2.579960 3.070518 -1.990954
H -0.100051 -0.854902 3.524009
H -0.745319 -3.611286 3.388796
H 4.099612 -1.105573 -2.863160
H 5.275810 -0.525508 -1.612113
H 5.483811 -0.051090 -3.340739


