%chk=000151396.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151396

0 1
 S    3.954500       2.118400      0.3616000    
 O    1.502600      -1.804200      -1.025100    
 O   -5.304600       1.040300      0.5241000    
 O   -5.168900     -0.3062000      -1.204400    
 N   0.8416000     -0.3721000      0.7127000    
 N    3.498500      -2.429800      0.9590000    
 N   -4.641800      0.2945000     -0.2370000    
 C    3.151400      -1.061800      0.5663000    
 C    4.177400     -0.5543000     -0.4602000    
 C    3.939600      0.8742000     -0.9623000    
 C    1.740900      -1.144100     -1.7100001E-02
 C  -0.5432000     -0.2036000      0.4728000    
 C   -1.280400      0.6179000       1.309100    
 C   -1.131100     -0.8642000     -0.5929000    
 C   -3.252600      0.1258000      3.5000001E-03
 C   -2.644900      0.7839000       1.072700    
 C   -2.495700     -0.6982000     -0.8293000    
 C    3.656500       3.583500     -0.6535000    
 H    3.177100     -0.4458000       1.469500    
 H    4.181800      -1.215300      -1.337900    
 H    5.185600     -0.6161000     -2.8100001E-02
 H    2.978800      0.9288000      -1.484800    
 H    4.724700       1.128100      -1.682800    
 H    1.199100      0.1394000       1.516300    
 H    3.479000      -3.045600      0.1471000    
 H    2.807800      -2.789000       1.616700    
 H  -0.8163000       1.135000       2.144400    
 H  -0.6163000      -1.520100      -1.278900    
 H   -3.203100       1.433600       1.742100    
 H   -2.936800      -1.226700      -1.670900    
 H    3.631500       4.467700     -1.1100000E-02
 H    2.695600       3.501600      -1.168100    
 H    4.457700       3.709700      -1.386300    


%chk=000151396-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151396

0 1
S 3.482615 1.910108 0.681889
O 1.423579 -2.471591 -0.556912
O -4.941500 1.805697 0.128821
O -5.207879 -0.198293 -0.933387
N 1.053841 -0.392219 0.487920
N 3.964898 -2.677416 0.713765
N -4.483468 0.680447 -0.319513
C 3.344126 -1.359336 0.523133
C 4.169646 -0.567702 -0.536431
C 3.661916 0.841161 -0.888809
C 1.849779 -1.471911 0.094115
C -0.323836 -0.178092 0.259794
C -0.882801 1.044693 0.738079
C -1.157594 -1.119553 -0.412085
C -3.052579 0.385020 -0.118353
C -2.242267 1.330581 0.552262
C -2.520472 -0.833075 -0.597326
C 2.786168 3.470333 -0.113412
H 3.400137 -0.811515 1.483609
H 4.195910 -1.163238 -1.471349
H 5.204955 -0.522653 -0.154697
H 2.674774 0.815974 -1.383178
H 4.382228 1.351719 -1.549657
H 1.570895 0.389411 0.931215
H 3.791819 -3.292852 -0.092716
H 3.667917 -3.140237 1.580909
H -0.242046 1.763127 1.263377
H -0.722257 -2.051362 -0.775954
H -2.689694 2.260111 0.912944
H -3.180702 -1.538120 -1.109327
H 2.599913 4.186629 0.701286
H 1.844177 3.247018 -0.639552
H 3.523802 3.892438 -0.813262


