%chk=000019385.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019385

0 1
 S   -4.140400      -1.583200      0.2168000    
 O   -1.947500     -0.6344000     -0.7965000    
 O   0.9368000       2.440500     -0.2380000    
 N   -1.750600       1.327300      0.4579000    
 N   -2.791500      0.7347000      0.8312000    
 N    4.245600     -0.9804000      0.4495000    
 C   0.2731000      0.1391000     -0.3292000    
 C   -1.160600      0.5231000     -0.6121000    
 C    1.252300       1.117500     -0.1566000    
 C   0.6131000      -1.210900     -0.2428000    
 C    2.571700      0.7457000      0.1021000    
 C    2.911600     -0.6044000      0.1883000    
 C    1.932300      -1.582600      1.6000001E-02
 C   -2.945800     -0.4318000      0.1135000    
 H   -1.190300       1.085000      -1.554400    
 H  -0.1152000      -2.006300     -0.3687000    
 H    3.330900       1.512900      0.2355000    
 H    2.185200      -2.637900      8.1200004E-02
 H    4.492800      -1.959100      0.5114000    
 H    4.956300     -0.2718000      0.5738000    
 H  -1.9500000E-02   2.557700     -0.3542000    


%chk=000019385-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019385

0 1
S -4.373725 -0.747624 1.233507
O -2.118895 -0.803548 -0.312736
O 0.718266 2.302501 0.263527
N -1.686492 1.525566 -0.357516
N -2.755250 1.350816 0.351232
N 4.321048 -0.884781 0.545638
C 0.283073 -0.039379 -0.467786
C -1.143364 0.218450 -0.878508
C 1.129625 0.986723 0.063714
C 0.831279 -1.334690 -0.659257
C 2.469461 0.697112 0.394097
C 3.000213 -0.606159 0.211305
C 2.158167 -1.631350 -0.324921
C -3.075857 -0.103817 0.414835
H -1.311080 0.181970 -1.974272
H 0.187345 -2.127995 -1.055633
H 3.083969 1.510616 0.792537
H 2.549268 -2.644252 -0.469915
H 4.701703 -1.819021 0.427348
H 4.924622 -0.164856 0.932246
H -0.253075 2.414418 -0.004742


