%chk=000068631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068631

0 1
 S    3.460700      -1.617800     -8.3999997E-03
 O   -1.233700      0.2251000     -3.8999999E-03
 O   -4.717000      0.5356000      9.9999997E-05
 O   -3.118400       2.040000     -1.1100000E-02
 N    1.759800      0.2994000     -2.1199999E-02
 N    3.915200       1.106000      7.4999998E-03
 N   -3.484600      0.8277000     -3.7000000E-03
 C    1.499400       1.704200      2.1299999E-02
 C   0.9736000     -0.8401000     -1.7000000E-03
 C    2.948200       2.265200      7.3000002E-03
 C    3.104700      9.2399999E-02 -1.0800000E-02
 C  -0.4521000     -0.8960000      1.4000000E-03
 C    1.724700      -1.967200      3.4000000E-03
 C   -1.256900      -2.022400      9.7000003E-03
 C   -2.595600      -1.563000      9.2000002E-03
 C   -2.527900     -0.1890000      8.9999998E-04
 H   0.9760000       1.997500      0.9368000    
 H   0.9349000       2.049100     -0.8506000    
 H    3.119900       2.872600     -0.8879000    
 H    3.131800       2.888400      0.8889000    
 H    1.377800      -2.990500      1.3900000E-02
 H  -0.9394000      -3.055800      1.5300000E-02
 H   -3.493700      -2.164300      1.4400000E-02


%chk=000068631-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068631

0 1
S 3.625910 -1.646692 -0.007394
O -1.101697 0.199229 -0.003081
O -4.661972 0.612586 0.000239
O -2.956175 2.166785 -0.013251
N 1.745594 0.237449 -0.009274
N 3.869053 1.208707 0.008028
N -3.404546 0.949653 -0.003492
C 1.404102 1.686556 0.024632
C 1.033977 -0.967359 0.000087
C 2.852869 2.331880 0.004871
C 3.157722 0.120312 -0.003477
C -0.410260 -1.031222 0.003026
C 1.865047 -2.079211 -0.000387
C -1.337710 -2.085235 0.011094
C -2.644297 -1.507864 0.009790
C -2.466481 -0.126314 0.001169
H 0.836397 1.933242 0.937057
H 0.795231 1.968512 -0.849224
H 3.008454 2.947765 -0.897764
H 3.024278 2.970478 0.888066
H 1.574210 -3.126003 -0.001720
H -1.099484 -3.146466 0.017274
H -3.602823 -2.019687 0.014529


