%chk=000046372.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046372

0 1
 S   -1.677200       1.740300     -1.9999999E-04
 N   -1.722400     -0.8385000     -9.9999997E-05
 N   -3.842100      0.2030000      3.0000001E-04
 C  -0.3878000     -0.4601000     -9.9999997E-05
 C   0.7244000      -1.329700     -9.9999997E-05
 C  -0.1609000      0.9195000     -9.9999997E-05
 C    2.219200      0.5752000       0.000000    
 C    2.018300     -0.8008000       0.000000    
 C    1.136000       1.457700       0.000000    
 C   0.5660000      -2.817600       0.000000    
 C    3.609300       1.119500      1.9999999E-04
 C   -2.482800      0.2314000       0.000000    
 H    2.873800      -1.473300     -1.9000000E-03
 H    1.288600       2.533200     -1.9000000E-03
 H    1.035500      -3.247300      0.8912000    
 H  -0.4862000      -3.118200       0.000000    
 H    1.035600      -3.247500     -0.8909000    
 H    4.288700      0.4651000      0.5570000    
 H    3.975100       1.214500      -1.027000    
 H    3.650400       2.104000      0.4787000    
 H   -4.394500       1.054100      9.9999997E-05
 H   -4.358200     -0.6706000      1.9999999E-04


%chk=000046372-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046372

0 1
S -1.711348 1.874008 0.010057
N -1.731757 -0.839043 -0.006353
N -3.913774 0.137362 -0.005823
C -0.373257 -0.452057 -0.001712
C 0.727995 -1.348928 0.000546
C -0.130028 0.959926 0.006063
C 2.269915 0.610052 0.014993
C 2.027948 -0.789630 0.010763
C 1.164673 1.501112 0.016930
C 0.502501 -2.849014 -0.001647
C 3.690481 1.149919 -0.006674
C -2.540160 0.198753 -0.001800
H 2.887875 -1.472215 0.016174
H 1.331706 2.583058 0.026675
H 0.954649 -3.321628 0.890566
H -0.574929 -3.076131 -0.006837
H 0.962986 -3.320494 -0.890185
H 4.380963 0.490160 0.548292
H 4.074372 1.228191 -1.042846
H 3.749041 2.157058 0.442210
H -4.488272 0.974008 -0.000848
H -4.352784 -0.780567 -0.013145


