%chk=000027895.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027895

0 1
 S   -1.934900      0.8816000      -1.401400    
 O    1.523700     -0.3937000     -0.1787000    
 O   -2.023000      8.7399997E-02  -2.598900    
 O   -3.094100       1.251600     -0.6318000    
 O   0.5387000     -0.4694000      -2.256000    
 N    5.167300     -0.9583000     -0.2535000    
 C  -0.8305000     -5.9000002E-03 -0.2747000    
 C   -1.524300      -1.321500      0.1262000    
 C  -0.6218000       1.017800      0.8572000    
 C   -1.000400       2.340500      -1.755800    
 C   0.4625000     -0.3286000      -1.041100    
 C   -2.706600      -1.644700     -0.4882000    
 C   -1.526600       1.039300       1.887200    
 C  -0.9262000      -2.106000       1.078600    
 C   0.4591000       1.858000      0.7809000    
 C   -1.741800       3.257700      -2.702500    
 C    2.797400     -0.6462000     -0.7803000    
 C   -3.334800      -2.836000     -0.1249000    
 C   -1.337700       1.966100       2.912300    
 C   -1.554500      -3.297300       1.441800    
 C   0.6481000       2.784700       1.806200    
 C    3.854300     -0.6860000      0.3118000    
 C   -2.758700      -3.662200      0.8402000    
 C  -0.2503000       2.838700       2.871900    
 C    5.535300      7.0799999E-02  -1.229000    
 C    6.179700      -1.038500      0.8025000    
 H  -3.3399999E-02   2.073500      -2.184500    
 H  -0.8808000       2.932500     -0.8525000    
 H   -3.278400      -1.107700      -1.224600    
 H   -2.389300      0.3846000       1.941500    
 H   8.8000000E-03  -1.833400       1.556400    
 H    1.162600       1.896000     -4.2500000E-02
 H   -1.157500       4.162900      -2.895500    
 H   -1.929900       2.764200      -3.661600    
 H   -2.709700       3.559300      -2.288700    
 H    2.760000      -1.603300      -1.314500    
 H    2.976800      0.1639000      -1.493900    
 H   -4.275300      -3.121000     -0.5880000    
 H   -2.039200       2.011100       3.740300    
 H   -1.106500      -3.940100       2.193900    
 H    1.488300       3.472000       1.769800    
 H    3.578700      -1.470100       1.029200    
 H    3.837100      0.2567000      0.8756000    
 H   -3.248600      -4.589000       1.124100    
 H  -0.1051000       3.562600       3.668400    
 H    6.581200     -5.2400000E-02  -1.536300    
 H    4.959200     -1.9800000E-02  -2.154800    
 H    5.424600       1.085500     -0.8296000    
 H    7.156000      -1.303400      0.3816000    
 H    6.282500     -9.3699999E-02   1.348600    
 H    5.924900      -1.826400       1.520100    


%chk=000027895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027895

0 1
S -1.488881 0.762204 -1.444844
O 1.783586 -0.360751 -0.060694
O -0.655191 -0.042761 -2.615844
O -3.059942 0.346671 -1.193424
O 1.387867 1.878994 -0.514032
N 5.031531 -1.609351 -1.439966
C -0.332527 0.561022 0.642231
C -0.702235 -0.822449 1.072518
C -0.926176 1.717360 1.376883
C -1.461897 2.662546 -1.926220
C 1.008086 0.782237 -0.016735
C -0.622912 -1.925917 0.173140
C -2.321984 1.690389 1.683015
C -1.120424 -1.067934 2.412731
C -0.166371 2.855740 1.774187
C -1.927920 2.797696 -3.372765
C 3.051193 -0.259221 -0.848813
C -0.960322 -3.223039 0.600805
C -2.929316 2.760744 2.367474
C -1.435022 -2.373673 2.842700
C -0.777448 3.915362 2.476265
C 3.722366 -1.634237 -0.749015
C -1.361676 -3.456897 1.938131
C -2.159747 3.877156 2.773894
C 6.108024 -0.998690 -0.633985
C 5.426610 -2.920765 -1.991234
H -0.413315 2.948247 -1.750717
H -2.134365 3.113593 -1.180299
H -0.318789 -1.758941 -0.865337
H -2.926319 0.839957 1.352571
H -1.174504 -0.238430 3.124420
H 0.898710 2.911501 1.536750
H -1.881789 3.864675 -3.662838
H -1.275360 2.225872 -4.054156
H -2.967133 2.449061 -3.499842
H 2.799263 -0.001589 -1.891165
H 3.665701 0.552226 -0.420934
H -0.915576 -4.054471 -0.110833
H -4.003515 2.726192 2.578842
H -1.737907 -2.543680 3.881706
H -0.173946 4.774989 2.787688
H 3.071848 -2.377403 -1.242938
H 3.804089 -1.932145 0.324996
H -1.617616 -4.469849 2.268531
H -2.631247 4.706817 3.312344
H 7.019867 -0.900318 -1.249394
H 5.818393 0.013998 -0.303937
H 6.366073 -1.597189 0.276769
H 6.348737 -2.805869 -2.589163
H 5.622013 -3.695387 -1.206967
H 4.634315 -3.299892 -2.659999


