%chk=000034637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034637

0 1
 S    3.131300      0.4425000      -2.097800    
 O   -7.553200       1.372100      -1.256400    
 O  -0.2198000      0.6417000       1.971700    
 N   -1.921000     -0.9428000      0.8625000    
 N   -4.523200     -0.5036000     -0.3183000    
 N    1.546100     -1.8000000E-03  0.5462000    
 C   -2.155900      0.1619000     -7.5499997E-02
 C   -2.826100      -2.061900      0.5738000    
 C   -3.618900      0.6161000     -2.9100001E-02
 C   -4.288800      -1.606900      0.6212000    
 C  -0.5263000      -1.377300      0.8141000    
 C   -5.918100     -6.9499999E-02 -0.2720000    
 C   0.3034000     -0.1662000       1.198500    
 C   -6.184800      0.9929000      -1.326100    
 C    2.341900      -1.106600      6.8200000E-02
 C    2.110400       1.316600      0.3461000    
 C    3.112000      -1.025700      -1.103000    
 C    2.862300       1.630100     -0.8024000    
 C    2.418800      -2.293500      0.8215000    
 C    1.929300       2.336000       1.299600    
 C    3.873300      -2.123800      -1.533900    
 C    3.383000       2.921000     -0.9902000    
 C    3.184500      -3.380800      0.3947000    
 C    2.456200       3.617300       1.111400    
 C    3.904500      -3.299300     -0.7892000    
 C    3.179100       3.911600     -3.5700001E-02
 H   -1.907800     -0.1495000      -1.100500    
 H   -1.554700       1.052800      0.1290000    
 H   -2.686800      -2.852900       1.320700    
 H   -2.607400      -2.499500     -0.4099000    
 H   -3.839500       1.061800      0.9502000    
 H   -3.702400       1.405500     -0.7814000    
 H   -4.923300      -2.461400      0.3562000    
 H   -4.550300      -1.311000       1.646300    
 H  -0.3543000      -2.160500       1.559100    
 H  -0.2618000      -1.748000     -0.1817000    
 H   -6.194600      0.3113000      0.7204000    
 H   -6.585300     -0.9196000     -0.4655000    
 H   -5.980400      0.6136000      -2.332900    
 H   -5.614700       1.910300      -1.165800    
 H    1.899900      -2.382300       1.772800    
 H    1.422200       2.158400       2.242200    
 H   -7.701800       2.037500      -1.949800    
 H    4.456400      -2.072800      -2.451000    
 H    3.951700       3.169100      -1.884000    
 H    3.221300      -4.286100      0.9935000    
 H    2.307000       4.380200       1.870200    
 H    4.500100      -4.142500      -1.125700    
 H    3.588000       4.906300     -0.1846000    


%chk=000034637-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034637

0 1
S 3.250313 0.603598 -2.052915
O -8.282345 0.391522 -1.157833
O -0.140535 1.418241 1.329609
N -1.971428 -0.573777 0.515976
N -4.768988 -0.518168 -0.251639
N 1.726721 0.254737 0.540710
C -2.484367 0.450425 -0.428134
C -2.771511 -1.819684 0.428260
C -3.968447 0.730107 -0.149697
C -4.253695 -1.523477 0.709761
C -0.534746 -0.834456 0.391358
C -6.226975 -0.286315 -0.115971
C 0.334534 0.368237 0.824374
C -6.842645 0.221931 -1.426715
C 2.346565 -0.969653 0.088387
C 2.564534 1.436953 0.554659
C 3.087148 -0.968860 -1.121455
C 3.351571 1.719640 -0.589801
C 2.295167 -2.152074 0.865730
C 2.614826 2.306213 1.668051
C 3.697460 -2.151539 -1.591491
C 4.180636 2.860141 -0.630873
C 2.886702 -3.341211 0.389475
C 3.424558 3.461521 1.619266
C 3.575186 -3.345979 -0.846945
C 4.205984 3.740518 0.474100
H -2.370493 0.111268 -1.489473
H -1.908257 1.378973 -0.284625
H -2.395445 -2.540267 1.179940
H -2.689454 -2.295545 -0.582400
H -4.060492 1.187454 0.867001
H -4.339741 1.463548 -0.887913
H -4.838974 -2.455246 0.598266
H -4.351454 -1.173431 1.768400
H -0.293464 -1.705146 1.027691
H -0.221429 -1.120042 -0.648092
H -6.472982 0.432712 0.702567
H -6.716804 -1.244745 0.135881
H -6.661420 -0.523664 -2.227566
H -6.384782 1.187001 -1.730401
H 1.802741 -2.129814 1.843721
H 2.000264 2.087778 2.543565
H -8.735367 0.704738 -1.979962
H 4.272521 -2.132991 -2.523014
H 4.796462 3.055705 -1.514688
H 2.827646 -4.254864 0.990056
H 3.446379 4.141413 2.477280
H 4.040453 -4.265887 -1.216000
H 4.839369 4.633258 0.441218


