%chk=000153231.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153231

0 1
 S   -4.256200       2.157100     -7.0799999E-02
 O  -0.3013000      -2.442700      3.7000000E-03
 O   -2.471900      -2.770600      1.6000000E-03
 O    5.425300      7.8699999E-02  -1.070300    
 O    5.408500      0.1058000       1.124700    
 N   -2.912000     -2.8300000E-02 -3.7700001E-02
 N   -1.504300       1.685800     -5.1800001E-02
 N   -1.480500      -1.984800     -3.5999999E-03
 N    4.810000      0.1293000      2.2100000E-02
 C   -4.256000     -0.5559000     -8.4500000E-02
 C   -2.756900       1.317900     -5.6100000E-02
 C   -5.191400      0.6056000      0.2740000    
 C   -1.689400     -0.6016000     -1.7100001E-02
 C  -0.8246000      0.4804000     -2.5100000E-02
 C   0.6052000      0.3915000     -1.3100000E-02
 C    1.313800      0.3319000      -1.215200    
 C    1.295400      0.3634000       1.200600    
 C    2.705900      0.2443000      -1.203500    
 C    2.687500      0.2760000       1.212100    
 C    3.392800      0.2163000      1.0100000E-02
 H   -4.371000      -1.368200      0.6370000    
 H   -4.435600     -0.9195000      -1.101600    
 H   -6.124400      0.5713000     -0.2953000    
 H   -5.431400      0.5887000       1.342400    
 H   0.7933000      0.3527000      -2.169900    
 H   0.7606000      0.4090000       2.146500    
 H    3.222000      0.2000000      -2.159200    
 H    3.189200      0.2569000       2.176300    


%chk=000153231-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153231

0 1
S -4.121215 1.732206 -1.518983
O -0.709515 -2.309278 1.813690
O -2.977323 -2.393840 1.573551
O 5.533006 1.348257 -0.901207
O 5.685523 -0.398254 0.559395
N -3.026086 -0.154247 0.037949
N -1.388592 1.118709 -0.884179
N -1.817312 -1.846324 1.326364
N 5.004901 0.433205 -0.157327
C -4.457517 -0.535081 0.111827
C -2.708270 0.914146 -0.776056
C -5.238895 0.735683 -0.312418
C -1.799365 -0.695922 0.477320
C -0.768058 0.124270 -0.103311
C 0.709970 0.136127 -0.061249
C 1.359775 1.130158 -0.860194
C 1.516200 -0.753977 0.706264
C 2.757307 1.232850 -0.898113
C 2.919641 -0.657839 0.674839
C 3.525338 0.332242 -0.125452
H -4.725344 -0.847705 1.130076
H -4.642640 -1.384143 -0.569624
H -6.167495 0.486044 -0.844166
H -5.449576 1.394371 0.543008
H 0.737497 1.812564 -1.443404
H 1.042782 -1.515361 1.324437
H 3.261359 1.987690 -1.506679
H 3.546504 -1.335551 1.259942


