%chk=000124130.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124130

0 1
 S    2.910600      -1.895100      0.5876000    
 O  -0.1642000      -1.860400      0.9289000    
 O  -0.5410000      -4.131700      -1.829500    
 O   -2.148400      -4.317600      0.3646000    
 O    4.384000      0.9839000       2.006000    
 O    5.374800       2.423100      0.5618000    
 N   -2.258300     -0.7453000      0.8519000    
 N   -3.784900      0.8497000       1.173500    
 N  -0.7124000      0.4464000     -0.5945000    
 N   -1.475100       2.724500      -1.024300    
 N   -3.501600       3.597200     -9.7499996E-02
 N    3.026600       2.492000     -0.8812000    
 C  -0.7323000      -2.958700      -1.068000    
 C   -1.957800      -3.010800     -0.1752000    
 C   0.3876000      -2.738200     -6.6100001E-02
 C   -1.595600      -2.046500      0.9556000    
 C    1.628800      -2.110100     -0.6743000    
 C   -1.826000      0.3427000      0.1463000    
 C   -3.439300     -0.3903000       1.450800    
 C   -2.785400       1.319700      0.3592000    
 C    4.188400      -1.153000     -0.4540000    
 C    3.749500      0.1642000      -1.100300    
 C   -2.579900       2.548500     -0.2599000    
 C    3.337100       1.275200     -0.1241000    
 C  -0.6227000       1.677900      -1.142400    
 C    4.476300       1.630200      0.8150000    
 C   -3.339000       4.882400     -0.7097000    
 H  -0.8090000      -2.104100      -1.750300    
 H   -2.876800      -2.750600     -0.7088000    
 H   0.6543000      -3.687000      0.4189000    
 H   -1.854500      -2.448900       1.942100    
 H    1.363900      -1.133900      -1.082500    
 H    2.018100      -2.740300      -1.480000    
 H   -1.343500      -4.267900      -2.361300    
 H   -1.355400      -4.562800      0.8699000    
 H   -3.999800      -1.074500       2.072900    
 H    5.082000     -0.9989000      0.1593000    
 H    4.467000      -1.871300      -1.232900    
 H    4.610000      0.5166000      -1.688400    
 H    2.959500     -4.6000001E-03  -1.840500    
 H    2.448500       1.007300      0.4553000    
 H   0.2452000       1.850800      -1.768900    
 H   -4.314500       3.424700      0.4831000    
 H    2.792100       3.249200     -0.2405000    
 H    3.843600       2.797100      -1.408700    
 H   -4.178000       5.531600     -0.4405000    
 H   -2.418000       5.367200     -0.3703000    
 H   -3.316600       4.799300      -1.801000    
 H    5.117300       1.225900       2.611000    


%chk=000124130-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124130

0 1
S 2.776047 -1.445818 1.021007
O -0.442332 -1.735475 1.093987
O -0.333539 -3.930392 -1.802405
O -2.195109 -4.247765 0.087755
O 6.019565 0.526294 2.000332
O 6.979930 1.951649 0.440122
N -2.603110 -0.713399 0.894651
N -3.805632 1.068625 1.709978
N -2.050083 0.196834 -1.371596
N -2.989093 2.448999 -1.708491
N -4.251484 3.564793 -0.034808
N 4.338811 2.508500 -0.616616
C -0.699502 -2.686169 -1.103359
C -2.049650 -2.861416 -0.345002
C 0.321710 -2.443179 0.031705
C -1.886076 -1.991907 0.926210
C 1.506660 -1.578377 -0.383216
C -2.615927 0.250647 -0.125651
C -3.321933 -0.157217 1.969365
C -3.367615 1.333555 0.398652
C 4.354469 -1.305906 -0.020445
C 4.490797 0.036698 -0.760263
C -3.546762 2.470099 -0.448885
C 4.597297 1.288625 0.161775
C -2.289456 1.337379 -2.087397
C 5.977530 1.318147 0.842950
C -4.450959 4.753651 -0.870762
H -0.765340 -1.817671 -1.781062
H -2.920279 -2.550377 -0.951357
H 0.670304 -3.419072 0.424710
H -2.260233 -2.557012 1.798328
H 1.160971 -0.570797 -0.667719
H 2.015843 -2.060714 -1.237728
H -0.595801 -3.870754 -2.754021
H -1.628973 -4.791819 -0.530870
H -3.451987 -0.696594 2.905499
H 5.168959 -1.460722 0.706603
H 4.355434 -2.147851 -0.735174
H 5.372312 -0.003679 -1.434303
H 3.606473 0.218467 -1.397508
H 3.823167 1.182407 0.943439
H -1.865224 1.369423 -3.095901
H -4.639012 3.526412 0.909185
H 4.098295 3.320130 -0.037391
H 5.104348 2.734729 -1.263617
H -5.032595 5.495975 -0.300484
H -3.483017 5.196874 -1.164545
H -4.994622 4.499945 -1.798236
H 6.931626 0.570024 2.400656


