%chk=000029118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029118

0 1
 S    1.512900      -2.564000      6.8099998E-02
 O   -2.655700     -0.4708000     -4.1400000E-02
 O   -5.801200       1.049500     -0.1275000    
 O   -5.192700      -1.062300     -0.2176000    
 N    1.061200     -2.1800000E-02  0.1929000    
 N    3.340200     -0.6437000      0.2869000    
 N    3.838300      0.6125000      0.3904000    
 N   -4.895800      0.1650000     -0.1288000    
 C   -1.425600      9.7800002E-02  5.9999999E-02
 C  -0.1598000     -0.6583000      8.6199999E-02
 C   -1.530800       1.467200      0.1342000    
 C    2.008700     -0.9286000      0.1932000    
 C   -3.556200      0.5467000     -3.2200001E-02
 C  -0.1173000      -2.034600      8.1000002E-03
 C   -2.914500       1.758700      7.4199997E-02
 C    5.017200      0.8387000     -0.1047000    
 C    5.736100       2.165900     -8.6300001E-02
 C    5.734800     -0.3180000     -0.7559000    
 H  -0.7211000       2.178500      0.2207000    
 H  -0.9317000      -2.740500     -7.9099998E-02
 H   -3.379400       2.734000      0.1053000    
 H    3.987500      -1.425800      0.3068000    
 H    6.689100       2.055600      0.4375000    
 H    5.919500       2.493800      -1.112600    
 H    5.125700       2.912900      0.4276000    
 H    5.117100     -0.7868000      -1.527300    
 H    6.644400      4.4900000E-02  -1.245400    
 H    6.037500      -1.050200     -1.8000000E-03


%chk=000029118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029118

0 1
S 1.414642 -2.723814 -0.180733
O -2.689235 -0.487155 0.057633
O -5.858566 1.184604 0.238078
O -5.342445 -1.058775 0.149079
N 1.004144 -0.055533 -0.081710
N 3.340536 -0.699268 -0.200815
N 3.821928 0.614133 -0.163067
N -5.016114 0.194111 0.173559
C -1.432095 0.147653 0.025532
C -0.254735 -0.689831 -0.048706
C -1.598937 1.537499 0.074680
C 1.981415 -0.932967 -0.149622
C -3.631997 0.549142 0.127793
C -0.254878 -2.080074 -0.092653
C -3.005490 1.793298 0.140065
C 5.129675 0.776587 -0.231685
C 5.630074 2.200184 -0.185376
C 6.142648 -0.353325 -0.352491
H -0.785654 2.258395 0.063425
H -1.109927 -2.751625 -0.079450
H -3.512726 2.753018 0.189966
H 3.972829 -1.505725 -0.265418
H 6.311373 2.351358 0.674410
H 6.204072 2.446587 -1.099832
H 4.783503 2.898411 -0.096725
H 5.976095 -0.958901 -1.266809
H 7.166260 0.047791 -0.405969
H 6.102006 -1.039477 0.518344


