%chk=000036307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036307

0 1
 S   3.0700000E-02  -3.068600      0.4459000    
 O   -1.493000      -1.529700      -1.653400    
 O    4.039100       2.264100      0.9519000    
 O    4.601700       1.580400      -1.056800    
 N    3.925100       1.462500     -6.6999998E-03
 C   -1.532100      -2.181200      0.6764000    
 C   -2.641400     -4.0399998E-02 -0.2517000    
 C    1.194700      -1.715300      0.3106000    
 C   -1.870900      -1.248900     -0.4972000    
 C    1.333500     -0.8178000       1.364100    
 C    1.952100      -1.570200     -0.8470000    
 C    3.002400      0.3885000      0.1006000    
 C   -3.570700     -4.9000001E-03  0.7879000    
 C   -2.450900       1.083700      -1.055400    
 C    2.239900      0.2373000       1.258600    
 C    2.858500     -0.5152000     -0.9523000    
 C   -4.309700       1.154300       1.023800    
 C   -3.189800       2.243000     -0.8194000    
 C   -4.119200       2.278300      0.2202000    
 H   -2.337500      -2.917200      0.7636000    
 H   -1.476700      -1.616200       1.611000    
 H   0.7558000     -0.9214000       2.278700    
 H    1.851400      -2.264800      -1.677100    
 H   -3.752300     -0.8695000       1.420300    
 H   -1.727600       1.077200      -1.866800    
 H    2.326700      0.9210000       2.099300    
 H    3.435400     -0.4281000      -1.869400    
 H   -5.036000       1.180900       1.830900    
 H   -3.040900       3.118800      -1.444200    
 H   -4.694900       3.180800      0.4035000    


%chk=000036307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036307

0 1
S -0.050437 -2.147002 -0.615507
O -1.200942 0.684360 -1.304529
O 5.566911 1.545371 0.585318
O 6.468562 -0.544644 0.409536
N 5.463377 0.269785 0.396843
C -1.275574 -1.092195 0.359230
C -3.261905 0.551025 -0.064995
C 1.563544 -1.353828 -0.288262
C -1.877617 0.091170 -0.415784
C 1.724774 0.044338 -0.115197
C 2.695265 -2.213232 -0.257077
C 4.118565 -0.290631 0.154186
C -4.005716 0.025170 1.027884
C -3.838577 1.578534 -0.864555
C 3.005179 0.578676 0.119099
C 3.979563 -1.683705 -0.043279
C -5.297394 0.517234 1.312271
C -5.130410 2.061564 -0.584171
C -5.863792 1.531632 0.505873
H -2.046582 -1.807831 0.684279
H -0.753876 -0.718998 1.260526
H 0.864498 0.710807 -0.217715
H 2.565276 -3.292818 -0.384059
H -3.584287 -0.755370 1.669873
H -3.249326 1.975706 -1.697441
H 3.158437 1.652796 0.252278
H 4.865040 -2.323550 -0.010481
H -5.861750 0.111637 2.158586
H -5.568356 2.847617 -1.208356
H -6.869051 1.907784 0.725525


