%chk=000042652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042652

0 1
 S    3.142900      -1.982000     -3.0000001E-04
 O   -3.607700       2.196500     -2.2000000E-03
 O   -4.984600      0.4813000      8.9999998E-04
 O    3.255200       2.703600      2.7999999E-03
 N   -1.544800      -1.812600      1.9000000E-03
 N    1.675400      0.1461000     -1.3000000E-03
 N   -3.815500      0.9531000     -9.9999997E-05
 N    4.063100      0.4722000     -7.9999998E-04
 C  -0.6371000     -0.7857000     -8.9999998E-04
 C   0.8249000     -0.9449000     -6.0000003E-04
 C   -1.340000      0.3988000     -1.5000000E-03
 C   -2.718700      7.2499998E-02  1.9999999E-04
 C   -2.816300      -1.301400      2.2000000E-03
 C    1.439500      -2.181800       0.000000    
 C    2.918700     -0.2806000     -1.3000000E-03
 C    4.145000       1.864800      1.1000000E-03
 H  -0.9067000       1.390700     -3.0000000E-03
 H   -1.321400      -2.798300      3.4000000E-03
 H   -3.668400      -1.967500      3.8999999E-03
 H    1.000500      -3.169800      5.0000002E-04
 H    4.933600     -5.2600000E-02 -1.3000000E-03
 H    5.206700       2.166400      1.1000000E-03


%chk=000042652-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042652

0 1
S 3.253752 -2.152082 0.000485
O -3.474949 2.303868 -0.001209
O -4.978174 0.575369 0.000388
O 3.048622 2.701458 0.001667
N -1.585409 -1.847113 0.001145
N 1.681947 0.032854 -0.000277
N -3.766855 1.044192 -0.000057
N 4.052431 0.543529 -0.000861
C -0.608537 -0.828689 0.000512
C 0.825382 -1.088163 0.000402
C -1.279731 0.401659 -0.000364
C -2.678693 0.096820 0.000239
C -2.852002 -1.298558 0.001222
C 1.463875 -2.325139 0.000684
C 2.946976 -0.309520 -0.000388
C 4.048964 1.959219 0.000092
H -0.813386 1.382859 -0.001101
H -1.390448 -2.846951 0.001797
H -3.766369 -1.884435 0.001919
H 1.042236 -3.328001 0.000934
H 4.975587 0.102252 -0.001923
H 5.099081 2.333372 -0.000605


