%chk=000116354.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116354

0 1
 S    2.682500     -0.8928000     -1.6000000E-03
 O   1.5300000E-02  -2.113000      4.6999999E-03
 N    5.173000     -2.1400001E-02 -3.5000001E-03
 N    3.497400       1.643200      2.9000000E-03
 C   -1.438300     -0.2722000     -6.0000003E-04
 C  -0.1133000     -0.8713000     -3.9999999E-04
 C    1.126800      3.6100000E-02  7.9999998E-04
 C   -1.576300       1.115900      3.0000001E-04
 C   -2.571300      -1.085600     -1.4000000E-03
 C   -2.847500       1.690500      3.9999999E-04
 C   -3.842400     -0.5111000     -1.4000000E-03
 C   -3.980400      0.8769000     -3.9999999E-04
 C    3.874500      0.4047000      3.0000001E-04
 H    1.100700      0.6555000      0.9027000    
 H    1.100300      0.6585000     -0.8989000    
 H  -0.7249000       1.788900      1.1000000E-03
 H   -2.491500      -2.169400     -2.3000001E-03
 H   -2.955700       2.771200      1.1000000E-03
 H   -4.724900      -1.144300     -2.0999999E-03
 H   -4.970100       1.324200     -3.0000001E-04
 H    5.945400      0.6358000     -4.4000000E-03
 H    5.402500      -1.009300     -6.8999999E-03
 H    4.330000       2.242500      2.7000001E-03


%chk=000116354-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116354

0 1
S 2.718909 -1.020664 -0.001495
O 0.031648 -2.171452 -0.000554
N 5.222039 -0.046443 -0.003074
N 3.455417 1.632778 0.000451
C -1.431100 -0.249312 0.000904
C -0.080836 -0.911302 0.001813
C 1.139822 -0.002669 0.001390
C -1.591981 1.163037 0.001717
C -2.584953 -1.080443 -0.000864
C -2.883787 1.730456 0.000882
C -3.873205 -0.511913 -0.001720
C -4.025819 0.896064 -0.000838
C 3.904564 0.405184 -0.001331
H 1.164906 0.657001 0.885527
H 1.163024 0.658852 -0.881435
H -0.717708 1.822589 0.002992
H -2.436519 -2.165443 -0.001460
H -3.001727 2.819436 0.001558
H -4.757392 -1.158480 -0.003071
H -5.027725 1.339659 -0.001500
H 5.990696 0.620877 -0.003198
H 5.443083 -1.040723 -0.004330
H 4.190446 2.366412 0.000434


