%chk=000111728.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111728

0 1
 S    2.656600      -1.110000      4.6500001E-02
 O   -1.235500       1.434400      4.6200000E-02
 N    5.323600     -0.5704000     -2.6400000E-02
 N   2.3300000E-02 -0.5064000      5.4499999E-02
 N   -2.282800     -0.6701000      1.8100001E-02
 N    4.026900       1.232400     -3.9999999E-04
 C    4.078000     -5.9200000E-02  4.1000000E-03
 C    1.327900      0.1251000      7.6099999E-02
 C    6.171500      0.5008000     -5.3800002E-02
 C   -3.641700     -0.3545000     -2.6000000E-03
 C    5.744100      -1.953600     -3.1199999E-02
 C    5.348100       1.602000     -3.7599999E-02
 C   -1.180300      0.2070000      3.7000000E-02
 C   -4.594400      -1.373200     -1.9500000E-02
 C   -4.047500      0.9800000     -5.2999998E-03
 C   -5.953000      -1.057300     -3.9099999E-02
 C   -5.406000       1.295800     -2.5000000E-02
 C   -6.358700      0.2771000     -4.1800000E-02
 H    1.394700      0.7831000     -0.7964000    
 H    1.391700      0.7349000      0.9830000    
 H    7.247400      0.3971000     -8.1699997E-02
 H    5.380900      -2.431900      0.8819000    
 H    5.333300      -2.440100     -0.9193000    
 H    6.836000      -2.002400     -5.9799999E-02
 H  -1.0700000E-02  -1.520700      5.3599998E-02
 H   -2.061900      -1.662900      1.7899999E-02
 H    5.639600       2.642200     -5.0299998E-02
 H   -4.292500      -2.417500     -1.7300000E-02
 H   -3.372000       1.823600      6.3999998E-03
 H   -6.694900      -1.850400     -5.2200001E-02
 H   -5.723500       2.334700     -2.7200000E-02
 H   -7.416500      0.5231000     -5.7100002E-02


%chk=000111728-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111728

0 1
S 2.617417 -0.098348 -1.897906
O -1.224180 1.037471 -2.049702
N 4.425420 -0.976701 0.079932
N 0.519920 1.210513 -0.488600
N -1.553986 0.407365 0.209191
N 2.610498 0.082030 0.931217
C 3.229476 -0.323840 -0.209369
C 1.503312 1.488121 -1.476260
C 4.564140 -0.985297 1.480059
C -2.927251 0.041265 0.219269
C 5.357959 -1.564478 -0.890429
C 3.448068 -0.321679 1.982839
C -0.794640 0.883149 -0.867389
C -3.467617 -0.422732 1.450667
C -3.763254 0.120268 -0.927546
C -4.822305 -0.800896 1.537456
C -5.117871 -0.261980 -0.821767
C -5.659802 -0.722842 0.400130
H 1.042173 1.751450 -2.438637
H 2.240382 2.225931 -1.132230
H 5.414481 -1.450017 1.970955
H 5.157797 -2.640671 -1.036344
H 5.242607 -1.049032 -1.858577
H 6.394187 -1.433434 -0.538668
H 0.947054 0.902862 0.412516
H -1.068727 0.311443 1.104234
H 3.194411 -0.112155 3.018604
H -2.825279 -0.487295 2.339124
H -3.341804 0.472474 -1.870692
H -5.222360 -1.156304 2.493752
H -5.755692 -0.197689 -1.710838
H -6.712837 -1.016254 0.466309


