%chk=000123838.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123838

0 1
 S    9.563000       1.823100      8.3400004E-02
 O    10.24360       1.533500      -1.171000    
 O    9.436500       3.201400      0.5362000    
 N   -7.211000      0.6857000      1.9000000E-03
 N   -9.406700       2.510200     -9.4300002E-02
 N   -2.358200     -0.2929000     -0.2600000    
 N   -2.576100      -2.392400      0.4364000    
 N    2.979100      0.1188000      0.1056000    
 N    3.833700      -1.874500     -0.3807000    
 N    10.28540      0.9016000       1.327900    
 C   -8.019600      0.9285000       1.203400    
 C   -7.238200       1.749300      -1.006700    
 C   -9.436400       1.360600      0.8185000    
 C   -8.680300       2.156000      -1.319800    
 C   -6.077000     -0.1249000      0.1254000    
 C   -10.76540       2.948300     -0.4116000    
 C   -4.795000      0.3843000     -0.1886000    
 C   -3.700900     -0.4696000     -4.5000002E-02
 C   -6.193700      -1.462100      0.5660000    
 C   -3.811400      -1.787800      0.3890000    
 C   -5.081000      -2.301400      0.7028000    
 C   -1.728900      -1.468500      4.1499998E-02
 C  -0.2995000      -1.623300     -7.9300001E-02
 C    1.902200     -0.7219000     -1.3800000E-02
 C   0.5287000     -0.5121000      0.1140000    
 C    2.461800      -1.959900     -0.3176000    
 C   0.2335000      -2.878200     -0.3853000    
 C    4.109300     -0.6158000     -0.1220000    
 C    1.615800      -3.065400     -0.5088000    
 C    5.425700     -2.7100001E-02 -7.2499998E-02
 C    6.449700     -0.5428000     -0.8663000    
 C    5.672900       1.056900      0.7691000    
 C    7.970300       1.110500      2.3399999E-02
 C    7.722400      2.6200000E-02 -0.8183000    
 C    6.945600       1.625900      0.8170000    
 H   -7.538800       1.707100       1.809800    
 H   -8.095000      3.2299999E-02   1.829700    
 H   -6.770300       1.410800      -1.939600    
 H   -6.679700       2.621700     -0.6439000    
 H   -9.966400      0.5146000      0.3602000    
 H   -9.975200       1.624800       1.736500    
 H   -8.653700       3.014400      -2.002100    
 H   -9.186500       1.335800      -1.846800    
 H   -11.34920       2.165300     -0.9091000    
 H   -10.74260       3.828400      -1.063800    
 H   -11.29530       3.247000      0.4997000    
 H   -4.644900       1.406500     -0.5195000    
 H   -7.175300      -1.872400      0.7981000    
 H   -5.202400      -3.325500       1.040900    
 H   -1.926300      0.5577000     -0.5965000    
 H   0.1485000      0.4723000      0.3652000    
 H  -0.4166000      -3.737700     -0.5376000    
 H    2.929500       1.107900      0.3115000    
 H    2.019400      -4.044200     -0.7475000    
 H    6.277400      -1.386500      -1.530400    
 H    4.901100       1.473200       1.411400    
 H    8.507000     -0.3949000      -1.440600    
 H    7.119000       2.463700       1.486500    
 H    11.01370      0.2279000       1.061100    
 H    10.45970       1.367900       2.226600    


%chk=000123838-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123838

0 1
S 10.029146 1.409690 -0.201565
O 10.940117 0.196851 -0.795533
O 10.029917 2.919622 -0.814376
N -7.393939 0.668814 0.015959
N -9.754763 2.339062 0.166449
N -2.425663 -0.101535 0.004032
N -2.624406 -2.375569 0.004418
N 3.078521 0.227420 -0.072164
N 3.906545 -1.900173 -0.063341
N 10.462804 1.614636 1.578350
C -8.565671 0.276791 0.837774
C -7.296899 2.129631 -0.167462
C -9.864692 0.865649 0.265544
C -8.619982 2.701281 -0.710790
C -6.211641 -0.112606 0.051611
C -11.018697 2.976396 -0.249812
C -4.922004 0.494041 0.045119
C -3.801936 -0.358180 0.017376
C -6.312391 -1.552637 0.040985
C -3.900369 -1.790703 0.018789
C -5.185140 -2.384938 0.032294
C -1.749336 -1.343286 -0.003792
C -0.291425 -1.482985 -0.017588
C 1.959061 -0.613986 -0.050698
C 0.576182 -0.358244 -0.037415
C 2.505387 -1.945966 -0.045439
C 0.248898 -2.815949 -0.012302
C 4.229074 -0.585536 -0.079832
C 1.627550 -3.058713 -0.025702
C 5.600728 -0.070586 -0.102231
C 6.671079 -1.010076 -0.130730
C 5.896338 1.322357 -0.108650
C 8.249716 0.809785 -0.146390
C 8.008189 -0.575163 -0.153909
C 7.230600 1.774376 -0.129973
H -8.437733 0.647800 1.880117
H -8.648711 -0.819674 0.878769
H -6.501085 2.348617 -0.900806
H -7.045047 2.642772 0.790094
H -10.071755 0.399667 -0.732545
H -10.703198 0.615715 0.942009
H -8.540963 3.803650 -0.756227
H -8.771523 2.322902 -1.754955
H -11.357426 2.666232 -1.270863
H -10.899728 4.074719 -0.247945
H -11.817774 2.719110 0.468267
H -4.803377 1.579477 0.092305
H -7.302435 -2.015994 0.001310
H -5.288416 -3.473982 0.016282
H -1.991982 0.818400 0.002381
H 0.193634 0.668720 -0.044648
H -0.469643 -3.640231 0.002365
H 3.062314 1.244602 -0.085850
H 2.028430 -4.076129 -0.021773
H 6.421576 -2.074910 -0.137296
H 5.096190 2.071318 -0.098038
H 8.840902 -1.283766 -0.201644
H 7.476946 2.840346 -0.155764
H 11.140063 0.878118 1.837967
H 10.836842 2.571246 1.697180


