%chk=000121657.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121657

0 1
 S   1.5000000E-03   3.561100      0.5817000    
 O   2.2700001E-02   3.766400       2.023100    
 O  -6.0300000E-02   4.710100     -0.3122000    
 O    4.788100      0.3674000     -0.7091000    
 O   -4.782700      0.3637000     -0.7084000    
 N    2.561900      -3.886300     -0.3213000    
 N   -2.555100      -3.889100     -0.3196000    
 C    1.419000       2.615600      0.1989000    
 C   -1.436500       2.600300      0.1934000    
 C    1.985000       1.785000       1.166200    
 C   -1.980500       1.783600       1.166600    
 C    1.985200       2.690500      -1.073800    
 C   -1.981800       2.689000      -1.073500    
 C    3.664300       1.117600     -0.4062000    
 C   -3.678400       1.101500     -0.4109000    
 C    3.117300       1.029800      0.8611000    
 C   -3.111900       1.027100      0.8614000    
 C    3.117500       1.935200      -1.378900    
 C   -3.113300       1.932500      -1.378500    
 C    4.803400     -0.9359000     -0.3169000    
 C   -4.797800     -0.9622000     -0.3089000    
 C    3.680700      -1.738700     -0.5190000    
 C   -3.674600      -1.742000     -0.5180000    
 C    5.942000      -1.468700      0.2876000    
 C   -5.935900      -1.472500      0.2890000    
 C    3.696900      -3.074300     -0.1169000    
 C   -3.690400      -3.077400     -0.1153000    
 C    5.958200      -2.804300      0.6896000    
 C   -5.951400      -2.807800      0.6918000    
 C    4.835700      -3.607000      0.4874000    
 C   -4.828700      -3.610200      0.4896000    
 H    1.560200       1.707300       2.163000    
 H   -1.552100       1.711300       2.161300    
 H    1.557000       3.325700      -1.844000    
 H   -1.552000       3.321600      -1.843700    
 H    3.551900      0.4079000       1.638200    
 H   -3.543300      0.4054000       1.641600    
 H    3.556300       1.992900      -2.370300    
 H   -3.548900       1.992400      -2.372100    
 H    2.793500      -1.345100      -1.010000    
 H   -2.790200      -1.345300      -1.009700    
 H    6.819300     -0.8480000      0.4482000    
 H   -6.810400     -0.8488000      0.4474000    
 H    6.844800      -3.218800       1.160300    
 H   -6.837800      -3.222500       1.163000    
 H    4.860700      -4.646200      0.8053000    
 H   -4.853200      -4.649300      0.8079000    
 H    2.573100      -4.854500     -2.9200001E-02
 H    1.735000      -3.500600     -0.7574000    
 H   -2.565900      -4.857200     -2.7100001E-02
 H   -1.728600      -3.503200     -0.7561000    


%chk=000121657-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121657

0 1
S -0.005732 3.169330 0.868664
O -0.009181 3.011509 2.501288
O -0.009783 4.616577 0.097824
O 4.987921 0.377454 -1.138358
O -4.963206 0.327884 -1.158060
N 4.907921 -4.391977 -0.016501
N -4.935371 -4.426451 0.024104
C 1.514560 2.239054 0.245024
C -1.514393 2.224804 0.238670
C 2.096199 1.274315 1.082056
C -2.097540 1.264301 1.079466
C 2.057809 2.606061 -0.999271
C -2.048870 2.576686 -1.013879
C 3.809856 0.946186 -0.623764
C -3.794685 0.910367 -0.637535
C 3.261353 0.611162 0.640395
C -3.255267 0.590489 0.634390
C 3.218846 1.943767 -1.440114
C -3.201970 1.903258 -1.458491
C 5.575499 -0.761517 -0.502635
C -5.560717 -0.793937 -0.500515
C 4.908779 -2.000950 -0.540706
C -4.910966 -2.042339 -0.530862
C 6.858889 -0.606812 0.056206
C -6.834187 -0.614334 0.073277
C 5.543526 -3.150431 0.010624
C -5.553703 -3.176127 0.043509
C 7.481640 -1.755625 0.599237
C -7.464892 -1.747506 0.639634
C 6.842692 -3.010328 0.586225
C -6.843042 -3.010834 0.634318
H 1.666686 1.073317 2.069188
H -1.674754 1.075130 2.071850
H 1.599632 3.408749 -1.586109
H -1.590909 3.376571 -1.604657
H 3.744996 -0.137964 1.273209
H -3.739952 -0.155558 1.270057
H 3.688679 2.190403 -2.396242
H -3.664738 2.137927 -2.421068
H 3.919578 -2.073927 -1.006536
H -3.928887 -2.133673 -1.008316
H 7.342816 0.372813 0.054363
H -7.305211 0.371545 0.064960
H 8.480613 -1.667467 1.040238
H -8.456649 -1.640222 1.092535
H 7.343970 -3.887226 1.012822
H -7.350361 -3.875300 1.078791
H 5.367704 -5.217856 0.354676
H 3.991523 -4.501394 -0.440044
H -5.400831 -5.240980 0.412885
H -4.026391 -4.553921 -0.410223


