%chk=000153807.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153807

0 1
 S    1.873000     -0.7952000      5.0000002E-04
 O   -2.685300      -1.541100     -7.9999998E-04
 O  -0.6755000      -2.424400     -9.9999997E-05
 N  -0.6306000       2.045700     -1.0000000E-03
 N   0.6360000       1.596300     -6.9999998E-04
 N   -1.430300      -1.413700     -9.9999997E-05
 C   -1.567200       1.054000     -1.9999999E-04
 C  -0.8645000     -0.1261000      1.9999999E-04
 C   0.4868000      0.2689000      9.9999997E-05
 C   -3.010400       1.350800      1.8000000E-03
 C    3.275400      0.3687000       0.000000    
 C    4.592400     -0.3839000      3.0000001E-04
 H  -0.7819000       3.046800     -1.2000001E-03
 H   -3.200500       2.429500      2.7000001E-03
 H   -3.494700      0.9338000     -0.8871000    
 H   -3.492500      0.9327000      0.8913000    
 H    3.220000       1.005000     -0.8891000    
 H    3.220000       1.005700      0.8887000    
 H    4.694400      -1.015000      0.8897000    
 H    4.694300      -1.015600     -0.8886000    
 H    5.427300      0.3249000      9.9999997E-05


%chk=000153807-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153807

0 1
S 1.911430 -0.906230 -0.000005
O -2.744242 -1.547606 0.001182
O -0.627749 -2.437791 0.001150
N -0.643050 2.066475 0.000515
N 0.675863 1.581952 0.000308
N -1.446947 -1.429540 0.000429
C -1.612274 1.098018 0.000527
C -0.882189 -0.117656 0.000404
C 0.517519 0.224768 0.000220
C -3.079944 1.390405 0.000627
C 3.327211 0.377118 -0.000091
C 4.658339 -0.384473 -0.000258
H -0.781602 3.075742 0.000592
H -3.270728 2.477752 0.001489
H -3.566617 0.938735 -0.880466
H -3.566754 0.937280 0.880883
H 3.199757 1.006698 -0.894753
H 3.199939 1.006623 0.894650
H 4.760999 -1.023333 0.894799
H 4.760820 -1.023250 -0.895394
H 5.496421 0.336111 -0.000310


