%chk=000067118.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067118

0 1
 S    1.690800      -1.915000     -0.5077000    
 O    1.711300      -2.763500      0.6681000    
 O    2.096500      -2.435200      -1.799200    
 O  -0.3970000      -1.052300       1.622800    
 N   0.1445000      -1.188200     -0.6523000    
 N    5.095500       2.838100      0.5759000    
 C   -2.001400     -0.2302000      0.1024000    
 C   -4.318000      0.2143000      0.6252000    
 C   -4.445200      0.9422000     -0.5580000    
 C    2.702500     -0.5023000     -0.1859000    
 C   -3.096100     -0.3718000      0.9554000    
 C  -0.7273000     -0.8411000      0.4461000    
 C   -2.128800      0.4976000      -1.080800    
 C   -3.350600       1.083800      -1.410900    
 C    2.911500     -0.1045000       1.123600    
 C    3.267800      0.1813000      -1.248800    
 C   -5.475900      4.9500000E-02   1.554000    
 C   -5.743000       1.579400     -0.9324000    
 C    3.709700       1.010600       1.377900    
 C    4.066200       1.296400     -0.9944000    
 C    4.287000       1.711100      0.3190000    
 H   -2.999700     -0.9423000       1.876400    
 H  -0.2109000      -1.105300      -1.612700    
 H   -1.293700      0.6571000      -1.756600    
 H   -3.431100       1.653200      -2.333200    
 H    2.468200     -0.6341000       1.961100    
 H    3.101600     -0.1202000      -2.278300    
 H   -5.209700     -0.5463000       2.434100    
 H   -5.821200       1.023200       1.916500    
 H   -6.301600     -0.4664000       1.053200    
 H   -6.527400      0.8232000      -1.039300    
 H   -6.044400       2.312900     -0.1776000    
 H   -5.673600       2.109800      -1.888500    
 H    3.873800       1.324400       2.405700    
 H    4.509300       1.835000      -1.828100    
 H    5.254400       3.140500       1.527800    
 H    5.512600       3.347400     -0.1917000    


%chk=000067118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000067118

0 1
S 1.768937 -1.788292 -0.831515
O 1.754639 -3.000562 0.236915
O 2.095422 -2.063189 -2.403566
O -0.159591 -0.496650 1.253890
N 0.052782 -1.065435 -0.991009
N 5.377785 2.658236 1.092443
C -2.066974 -0.113149 -0.214619
C -4.310493 0.404410 0.681359
C -4.756654 0.737487 -0.637043
C 2.833281 -0.391079 -0.223886
C -2.973755 -0.009539 0.869757
C -0.666320 -0.567206 0.092868
C -2.508518 0.228509 -1.516998
C -3.839605 0.649824 -1.713614
C 2.926812 -0.149902 1.159398
C 3.556249 0.338313 -1.186077
C -5.256570 0.492623 1.865004
C -6.184737 1.184897 -0.883685
C 3.783582 0.873458 1.594389
C 4.409370 1.361659 -0.741389
C 4.534340 1.645960 0.653954
H -2.605521 -0.260294 1.870653
H -0.367631 -1.312292 -1.893952
H -1.820385 0.209860 -2.370271
H -4.174978 0.922449 -2.721125
H 2.330549 -0.736105 1.863522
H 3.463187 0.092729 -2.248811
H -4.750818 0.207068 2.802219
H -5.653900 1.518068 1.992550
H -6.131774 -0.172897 1.735480
H -6.910904 0.406490 -0.579613
H -6.432933 2.092479 -0.300364
H -6.356551 1.409622 -1.949780
H 3.870618 1.085667 2.665874
H 4.986812 1.942023 -1.469952
H 5.473504 2.865111 2.082658
H 5.917345 3.211951 0.433135


