%chk=000002173.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002173

-1 1
 S    3.332600       1.877500      0.3758000    
 O   0.8259000     -0.9893000      -1.797300    
 O    4.167800     -0.8467000       1.920500    
 O    4.499700      -2.684200      0.5983000    
 O   -1.959300       1.678800     -0.9774000    
 N    2.221300     -0.4745000      3.3900000E-02
 N  -0.5787000      0.7451000      0.6345000    
 N   -3.510600       2.193800       1.483700    
 C    1.938300      0.7566000      0.7732000    
 C    4.248500      0.6098000     -0.6335000    
 C    3.588300     -0.7562000     -0.3403000    
 C   0.6805000      0.9096000     -9.7800002E-02
 C    1.155800     -0.3713000     -0.8108000    
 C    4.074700      0.9901000      -2.113600    
 C    5.737800      0.6676000     -0.2786000    
 C    4.137500      -1.498600      0.8401000    
 C   -1.813900       1.150700      0.1238000    
 C   -2.969400      0.8915000       1.084400    
 C   -4.014100      6.9999998E-04  0.4448000    
 C   -5.050800      0.5797000     -0.2652000    
 C   -3.907400      -1.371600      0.5847000    
 C   -6.012800     -0.2406000     -0.8544000    
 C   -4.869500      -2.191900     -4.6000001E-03
 C   -5.922200      -1.626300     -0.7242000    
 H    1.774500      0.5852000       1.841500    
 H    3.592900      -1.393500      -1.233200    
 H   0.6705000       1.786600     -0.7548000    
 H    4.500700       1.977000      -2.330800    
 H    4.589300      0.2675000      -2.758000    
 H    3.024100       1.007600      -2.422000    
 H    6.183900       1.620300     -0.5894000    
 H    5.932700      0.5628000      0.7931000    
 H    6.287200     -0.1279000     -0.7955000    
 H  -0.5646000      0.3125000       1.555100    
 H   -2.606000      0.4045000       1.997500    
 H   -2.782700       2.736100       1.948300    
 H   -4.242600       2.058500       2.180900    
 H   -5.139500       1.653200     -0.4002000    
 H   -3.089800      -1.820700       1.141000    
 H   -6.830200      0.1990000      -1.418400    
 H   -4.798500      -3.271000      9.5799997E-02
 H   -6.670500      -2.265100      -1.184100    


%chk=000002173-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002173

-1 1
S 3.164064 1.587774 0.692310
O 0.405081 0.126965 -2.633394
O 2.805727 -2.049827 1.205320
O 4.382370 -2.819666 -0.357851
O -1.588107 3.155612 0.657642
N 1.819551 -0.268284 -0.683979
N -0.988356 0.927437 0.307594
N -4.122575 2.543522 1.294227
C 1.569985 0.547442 0.517720
C 4.125769 0.452541 -0.600539
C 3.169750 -0.790272 -0.870426
C 0.338718 1.187951 -0.228965
C 0.792196 0.291523 -1.453024
C 4.310672 1.278694 -1.893396
C 5.475867 0.051927 0.016547
C 3.470852 -2.019400 0.092425
C -1.847184 1.912178 0.724912
C -3.184504 1.421213 1.383204
C -3.735051 0.136381 0.755845
C -4.541414 0.199363 -0.408147
C -3.426847 -1.130912 1.312265
C -5.014790 -0.983830 -1.013286
C -3.899008 -2.318667 0.705498
C -4.692528 -2.248085 -0.461682
H 1.410044 -0.030286 1.436840
H 3.310412 -1.120927 -1.914067
H 0.445630 2.268375 -0.409640
H 4.816567 2.238509 -1.682446
H 4.931537 0.708050 -2.613177
H 3.338972 1.500260 -2.369678
H 6.127169 0.938653 0.136136
H 5.327825 -0.427144 0.997073
H 5.973130 -0.687813 -0.637430
H -1.312923 -0.043458 0.333394
H -2.890062 1.175630 2.435606
H -3.627406 3.440562 1.212011
H -4.878277 2.527485 1.981185
H -4.788785 1.189254 -0.805676
H -2.818279 -1.192616 2.224607
H -5.628225 -0.924793 -1.920206
H -3.642827 -3.291608 1.139834
H -5.053341 -3.166812 -0.938384


