%chk=000081450.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081450

0 1
 S  -0.4606000      -2.194600     -8.5800000E-02
 O   0.1386000      -2.560000       1.389300    
 O   -1.747100      -2.862200     -0.2021000    
 O   0.5859000      -2.415900      -1.069200    
 O    2.855700       2.032300      3.7400000E-02
 N    1.626700      2.1700000E-02 -2.2000000E-02
 N   -3.676700       1.809700      8.6000003E-03
 C  -0.7554000     -0.4687000     -4.1999999E-02
 C   0.2960000      0.4475000     -1.5100000E-02
 C   -2.074800     -1.6500000E-02 -3.3799998E-02
 C   2.7899999E-02   1.815900      1.9700000E-02
 C   -2.342900       1.351900      1.0000000E-03
 C   -1.291500       2.268200      2.7700000E-02
 C    2.784800      0.8081000      2.2000000E-03
 C    4.033500     -3.7500001E-02 -1.5900001E-02
 H   -2.909100     -0.7126000     -5.1800001E-02
 H   0.7797000       2.591200      4.1700002E-02
 H   -1.489000       3.336900      5.4699998E-02
 H    1.775200     -0.9832000     -4.4000000E-02
 H   -3.871200       2.801900      3.4600001E-02
 H   -4.440100       1.146700     -9.9999998E-03
 H    4.063700     -0.6703000      0.8755000    
 H    4.917200      0.6064000     -2.5500000E-02
 H    4.043400     -0.6659000     -0.9110000    
 H  -0.4651000      -2.379500       2.147900    


%chk=000081450-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081450

0 1
S -0.540478 -2.195933 -0.047545
O -0.454925 -2.423906 1.793621
O -1.851761 -2.959984 -0.598981
O 0.924875 -2.594703 -0.650587
O 2.889680 2.052924 0.209360
N 1.674607 0.056530 -0.078506
N -3.731847 1.900565 0.010819
C -0.771656 -0.343396 -0.041328
C 0.346112 0.537346 -0.021240
C -2.116843 0.061033 -0.030821
C 0.013336 1.925140 0.030377
C -2.415705 1.447607 0.007520
C -1.318454 2.359509 0.049903
C 2.855110 0.797993 0.031137
C 4.126788 -0.037070 -0.076893
H -2.909665 -0.694076 -0.065317
H 0.839511 2.638371 0.062477
H -1.519239 3.436682 0.091736
H 1.770769 -0.956736 -0.263113
H -3.937079 2.894880 0.036220
H -4.511601 1.250246 -0.013464
H 4.686415 0.038171 0.871978
H 4.767928 0.387133 -0.868307
H 3.939859 -1.101749 -0.296475
H -0.350936 -3.405077 1.969529


