%chk=000039692.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039692

0 1
 S    2.515000      -2.179600     -0.8235000    
 O   -1.248400       1.084500      0.3046000    
 O  -0.3011000      -1.451700     -0.6254000    
 O  -0.6004000      -2.316800       1.500800    
 N    1.518400      -2.410800      0.5529000    
 C   -2.153500       2.098400      0.8298000    
 C   -3.572700       1.834900      0.2745000    
 C   -3.403100      0.4507000     -0.2217000    
 C   -2.063100      0.1037000     -0.1965000    
 C   -2.119500       2.004700       2.360400    
 C   -1.628400       3.462700      0.3799000    
 C   -4.354400     -0.4283000     -0.7076000    
 C   -1.616900      -1.122700     -0.6505000    
 C   -3.927800      -1.678000      -1.164100    
 C   -2.566800      -2.022700      -1.136400    
 C   0.1567000      -2.084100      0.5584000    
 C    3.085900     -0.5135000     -0.5139000    
 C    2.142700      -3.065100       1.694100    
 C    2.808700       1.868300     -0.7645000    
 C    2.362300      0.5691000      -1.005700    
 C    4.252500     -0.3075000      0.2172000    
 C    3.977200       2.079600     -3.2400001E-02
 C    4.699000      0.9918000      0.4584000    
 C    2.037400       3.032200      -1.288900    
 H   -3.819600       2.498600     -0.5614000    
 H   -4.348500       1.915900       1.041800    
 H   -2.756300       2.765700       2.823200    
 H   -2.453300       1.018700       2.702900    
 H   -1.097100       2.131000       2.734400    
 H   -2.265400       4.277200      0.7391000    
 H  -0.6092000       3.628600      0.7471000    
 H   -1.574100       3.517800     -0.7133000    
 H   -5.404300     -0.1582000     -0.7404000    
 H   -4.654000      -2.388500      -1.549300    
 H   -2.258000      -2.999400      -1.500600    
 H    2.994600      -2.471900       2.039200    
 H    2.480800      -4.063000       1.397200    
 H    1.436100      -3.170200       2.521900    
 H    1.456300      0.4119000      -1.585600    
 H    4.829200      -1.142900      0.6058000    
 H    4.334700       3.087700      0.1603000    
 H    5.609100       1.156400       1.027900    
 H    1.970600       3.823700     -0.5348000    
 H    2.523800       3.433500      -2.183400    
 H    1.012100       2.750600      -1.551500    


%chk=000039692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039692

0 1
S 2.465498 -2.336122 -0.469377
O -1.358024 0.990501 0.366700
O -0.350786 -1.667840 -0.462375
O -0.738017 -1.786760 1.867348
N 1.393958 -2.170811 0.972607
C -2.346995 2.037324 0.915423
C -3.627030 1.849741 0.031323
C -3.468983 0.440120 -0.520908
C -2.138885 0.026117 -0.280664
C -2.597390 1.652906 2.383948
C -1.667897 3.399440 0.760999
C -4.361543 -0.403782 -1.203161
C -1.693838 -1.247719 -0.677618
C -3.907104 -1.677307 -1.635784
C -2.582835 -2.096546 -1.369142
C 0.044490 -1.864503 0.891009
C 3.227323 -0.647051 -0.537544
C 2.018338 -2.363280 2.296143
C 3.013657 1.794296 -0.628909
C 2.418440 0.512718 -0.529396
C 4.632319 -0.558850 -0.654266
C 4.426596 1.881881 -0.761678
C 5.226306 0.719391 -0.780495
C 2.154348 3.046860 -0.616234
H -3.654894 2.595879 -0.786732
H -4.544265 1.974610 0.633489
H -3.284398 2.377466 2.859638
H -3.041296 0.644601 2.451752
H -1.647283 1.643722 2.944037
H -2.333150 4.198601 1.135770
H -0.728529 3.433199 1.339933
H -1.437020 3.605873 -0.298728
H -5.391867 -0.087808 -1.399853
H -4.586699 -2.349172 -2.169644
H -2.225517 -3.082596 -1.681952
H 2.800474 -1.600514 2.462336
H 2.471477 -3.367448 2.362538
H 1.236695 -2.260435 3.064913
H 1.329484 0.423285 -0.450846
H 5.248704 -1.463978 -0.637700
H 4.898894 2.868206 -0.849526
H 6.314632 0.802862 -0.876568
H 2.437592 3.717913 0.216874
H 2.275072 3.623324 -1.552813
H 1.087151 2.794689 -0.504469


