%chk=000025768.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025768

0 1
 S   0.7199000       2.930100      3.0000001E-04
 O   -3.155500     -0.4065000     -1.7000000E-03
 N   -1.017600      -1.300800      8.9999998E-04
 N    2.214900      4.3600000E-02 -1.9999999E-04
 N   -1.353700       1.104000      3.0000001E-04
 N    1.336200      -2.000700      6.9999998E-04
 C   0.8559000      0.2200000     -5.0000002E-04
 C   0.3477000      -1.052800      1.9999999E-04
 C   3.8100000E-02   1.392500     -5.0000002E-04
 C   -1.933400     -0.2187000      8.9999998E-04
 C    2.452600      -1.304900      5.0000002E-04
 C   -1.499900      -2.677800     -6.9999998E-04
 C    3.273800       1.026300     -1.0000000E-03
 C   -2.279100       2.245800      6.9999998E-04
 H    3.449900      -1.724100      7.9999998E-04
 H   -1.124300      -3.187100      0.8921000    
 H   -1.128800      -3.183200     -0.8977000    
 H   -2.591800      -2.723100      1.9000000E-03
 H    3.205300       1.626000     -0.9109000    
 H    3.206600       1.626200      0.9088000    
 H    4.240500      0.5128000     -1.6000000E-03
 H   -3.323200       1.923500      1.2000001E-03
 H   -2.109000       2.852700     -0.8942000    
 H   -2.108200       2.852800      0.8953000    


%chk=000025768-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025768

0 1
S 0.633255 3.020454 0.000177
O -3.174912 -0.384573 -0.001122
N -1.026143 -1.306554 0.000745
N 2.273316 0.032893 -0.000189
N -1.331031 1.093157 0.001110
N 1.324247 -2.055021 -0.000599
C 0.876703 0.224886 0.000421
C 0.340140 -1.081076 0.000287
C 0.057034 1.397497 0.000880
C -1.922996 -0.218286 0.002219
C 2.478601 -1.337529 -0.000516
C -1.549914 -2.687871 -0.000618
C 3.333041 1.055636 -0.000568
C -2.289195 2.225032 0.000002
H 3.474009 -1.775252 -0.001057
H -1.190887 -3.225355 0.892595
H -1.195574 -3.222111 -0.897679
H -2.647373 -2.628974 0.002238
H 3.246056 1.700074 -0.889011
H 3.247575 1.699174 0.888681
H 4.307876 0.540476 -0.001661
H -3.304210 1.805912 0.000304
H -2.121288 2.851246 -0.891849
H -2.121432 2.852765 0.890808


