%chk=000168930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168930

0 1
 S  -0.8200000      -1.928100     -8.9999998E-04
 N   -2.020400      0.4793000     -9.1000004E-03
 N   0.8283000      -2.085700      3.1999999E-03
 C   0.4409000      0.2244000     -1.6000000E-03
 C  -0.8588000     -0.2198000     -3.5000001E-03
 C    1.409900     -0.8787000      2.2000000E-03
 C   -3.352000     -0.1210000     -1.0500000E-02
 C   0.7534000       1.584500     -3.1999999E-03
 C    2.794800     -0.5942000      4.3000001E-03
 C    2.141500       1.816300     -7.9999998E-04
 C   -4.434500      0.9445000      1.7600000E-02
 C    3.116800      0.7784000      2.4999999E-03
 H   -1.997700       1.495800     -1.4500000E-02
 H   -3.484800     -0.7337000     -0.9096000    
 H   -3.474400     -0.7650000      0.8680000    
 H   4.2500000E-02   2.400500     -5.9000002E-03
 H    3.557100      -1.363400      6.8999999E-03
 H    2.492900       2.847700     -1.9000000E-03
 H   -4.346100       1.568500      0.9132000    
 H   -4.360400       1.600700     -0.8559000    
 H   -5.426500      0.4825000      1.7100001E-02
 H    4.168400       1.062700      4.0000002E-03


%chk=000168930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168930

0 1
S -0.884852 -2.040276 0.000776
N -2.079562 0.486523 -0.006653
N 0.932149 -2.141166 0.005978
C 0.422371 0.251824 -0.002625
C -0.911803 -0.230472 -0.004030
C 1.386327 -0.846248 0.003321
C -3.416354 -0.131490 -0.012417
C 0.884114 1.611062 -0.006158
C 2.795914 -0.540093 0.006223
C 2.251849 1.874224 -0.003524
C -4.516103 0.940504 0.019853
C 3.205626 0.789895 0.002805
H -2.018949 1.505968 -0.012084
H -3.525427 -0.764435 -0.917922
H -3.511476 -0.803187 0.866196
H 0.167518 2.443809 -0.011037
H 3.511079 -1.368199 0.010978
H 2.613179 2.907861 -0.006306
H -4.445138 1.558857 0.933083
H -4.455127 1.603428 -0.862593
H -5.510455 0.462947 0.012846
H 4.276020 1.024865 0.004894


