%chk=000047905.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047905

0 1
 S  -0.9140000      -1.061800      -1.037300    
 O    5.429700      0.6935000      0.2827000    
 N  -0.6935000       2.579800      0.4084000    
 N   0.3452000      -4.041400      0.3001000    
 N   -1.878700      -4.298300     -4.0300000E-02
 N  -2.2299999E-02  -5.299000      1.6799999E-02
 N   -1.331100      -5.498000     -0.1921000    
 C  -0.1112000       1.407300      8.1000002E-03
 C   -2.347800       1.250000     -0.2785000    
 C   -1.109500      0.5638000     -0.4219000    
 C   -2.058800       2.512100      0.2449000    
 C    1.320800       1.223100      7.9200000E-02
 C   -3.690900      0.9173000     -0.5442000    
 C   -3.049900       3.461700      0.5175000    
 C    2.120700       1.573000      -1.006700    
 C    1.896800      0.6962000       1.233300    
 C   -4.693000       1.857200     -0.2763000    
 C   -4.375000       3.109200      0.2464000    
 C   -1.042700      -2.018900      0.4957000    
 C    3.502400       1.395200     -0.9382000    
 C    3.278700      0.5184000       1.301800    
 C    4.081400      0.8677000      0.2159000    
 C  -0.8480000      -3.479000      0.2481000    
 C    6.190800       1.071200     -0.8635000    
 H  -0.1981000       3.382700      0.7722000    
 H   -3.960200     -5.3399999E-02 -0.9508000    
 H   -2.803300       4.436600      0.9243000    
 H    1.683400       1.984900      -1.913200    
 H    1.284800      0.4191000       2.088300    
 H   -5.730800       1.606000     -0.4788000    
 H   -5.169100       3.823900      0.4469000    
 H   -2.031400      -1.855100      0.9384000    
 H  -0.2972000      -1.662600       1.214900    
 H    4.066400       1.687300      -1.817500    
 H    3.724000      0.1070000       2.203500    
 H    6.111900       2.145200      -1.062800    
 H    5.928200      0.4663000      -1.738000    
 H    7.241700      0.8647000     -0.6360000    
 H   0.6506000      -6.056300     -3.5799999E-02


%chk=000047905-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047905

0 1
S -0.191202 -1.237575 -0.979228
O 5.856990 2.093473 0.293104
N -0.633485 2.484603 0.527223
N -1.125616 -4.775875 -0.354195
N -2.965088 -3.394842 -0.399473
N -2.247494 -5.392302 -0.839354
N -3.382033 -4.588800 -0.880427
C 0.177949 1.424523 0.074711
C -2.050128 0.801155 -0.087527
C -0.682221 0.373444 -0.313726
C -1.987029 2.136965 0.441153
C 1.641408 1.559994 0.097796
C -3.314813 0.181880 -0.269790
C -3.144527 2.874973 0.767768
C 2.473972 0.911450 -0.852302
C 2.273353 2.371384 1.089646
C -4.472447 0.913796 0.060172
C -4.390423 2.243791 0.569586
C -0.770093 -2.413715 0.450403
C 3.876983 1.054126 -0.821733
C 3.666938 2.530173 1.126016
C 4.478992 1.870220 0.168381
C -1.603904 -3.519038 -0.084241
C 6.742074 1.418782 -0.660355
H -0.277914 3.411618 0.753707
H -3.387241 -0.842096 -0.652215
H -3.085564 3.895135 1.163503
H 2.018433 0.296544 -1.633261
H 1.669649 2.849874 1.870316
H -5.457659 0.454400 -0.075670
H -5.312075 2.783742 0.814130
H -1.347526 -1.776697 1.135303
H 0.133361 -2.799023 0.943219
H 4.480883 0.539090 -1.574562
H 4.151415 3.143626 1.891523
H 6.537458 1.744118 -1.698856
H 6.644401 0.318071 -0.589809
H 7.759102 1.720762 -0.370899
H -2.253877 -6.365147 -1.144537


