%chk=000080717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080717

0 1
 S  -0.9735000      -2.180500     -8.1600003E-02
 O  -0.3714000      -2.536100       1.394800    
 O   -2.251400      -2.864400     -0.1982000    
 O   7.6899998E-02  -2.390000      -1.063500    
 O    2.312200       2.079700      3.7999999E-02
 O    4.570000      0.8614000      1.7700000E-02
 O    3.517600      -1.166000     -4.0700000E-02
 N    1.085700      6.1900001E-02 -1.8600000E-02
 N   -4.240300       1.782800      3.8000001E-03
 C   -1.290000     -0.4584000     -4.0700000E-02
 C  -0.2502000      0.4711000     -1.4300000E-02
 C   -2.615100     -2.2800000E-02 -3.4699999E-02
 C  -0.5356000       1.836000      1.8200001E-02
 C   -2.900500       1.342100     -2.4999999E-03
 C   -1.860800       2.271700      2.4000000E-02
 C    2.223500      0.8631000      6.3999998E-03
 C    3.502700      4.8500001E-02 -8.2999999E-03
 H   -3.440500     -0.7294000     -5.2299999E-02
 H   0.2096000       2.618200      3.9999999E-02
 H   -2.071700       3.337900      4.9300000E-02
 H    1.249600     -0.9406000     -3.9400000E-02
 H   -4.447400       2.772400      2.6500000E-02
 H   -4.995000       1.109900     -1.6000001E-02
 H  -0.9782000      -2.362200       2.152400    
 H    5.415500      0.3641000      8.3999997E-03


%chk=000080717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080717

0 1
S -1.043582 -2.179236 0.015427
O -0.788768 -2.319303 1.845855
O -2.391860 -2.965819 -0.394390
O 0.369644 -2.562047 -0.700200
O 2.310067 2.164147 0.178637
O 4.679675 0.783539 0.024087
O 3.507485 -1.212581 -0.210602
N 1.127861 0.122993 -0.085369
N -4.308340 1.857692 -0.012425
C -1.310993 -0.329552 -0.020689
C -0.211286 0.572780 -0.038507
C -2.659105 0.051169 -0.010997
C -0.567743 1.955747 -0.028803
C -2.985020 1.434542 -0.014871
C -1.906331 2.368176 -0.012946
C 2.264363 0.911488 0.023952
C 3.525155 0.033291 -0.069072
H -3.436954 -0.720471 -0.010393
H 0.239114 2.691134 -0.025905
H -2.126191 3.442096 -0.005240
H 1.288714 -0.891121 -0.254818
H -4.536512 2.847667 -0.014864
H -5.073877 1.189734 -0.008656
H -0.495352 -3.258006 2.038168
H 5.471536 0.182342 -0.038679


