%chk=000129029.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129029

0 1
 S   -1.527400       2.342100       1.188500    
 O   0.5481000       1.469300      -1.608400    
 O    1.946100       2.079000      7.0699997E-02
 N    2.624700     -0.5584000      0.4095000    
 N   -1.898500      -1.250800     -0.2358000    
 N   -3.154300      0.5777000     -0.1265000    
 C    1.303500     -0.2610000     -0.1393000    
 C   0.2224000     -0.5876000      0.9027000    
 C   -1.177100     -0.3100000      0.4039000    
 C    1.309900       1.211100     -0.5138000    
 C   -1.939500      0.8033000      0.4709000    
 C    3.664400     -0.2894000     -0.5839000    
 C    2.693000      -1.949900      0.8554000    
 C   -3.096900     -0.6682000     -0.5418000    
 C   -1.518400      -2.607300     -0.5523000    
 H    1.134700     -0.8439000      -1.055200    
 H   0.3904000      1.9000000E-03   1.814500    
 H   0.2451000      -1.635900       1.216200    
 H    3.518700     -0.8760000      -1.499000    
 H    4.648800     -0.5522000     -0.1775000    
 H    3.749300      0.7647000     -0.8623000    
 H    2.159000      -2.104600       1.798000    
 H    3.729700      -2.228800       1.082500    
 H    2.323100      -2.654300      0.1013000    
 H   -3.885600      -1.193700      -1.063000    
 H   -2.294900      -3.066600      -1.169800    
 H  -0.5765000      -2.591600      -1.105000    
 H   -1.413700      -3.164600      0.3817000    
 H   0.5678000       2.419400      -1.851500    
 H   -2.675100       2.981800      0.9215000    


%chk=000129029-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129029

0 1
S -1.541008 2.276555 1.840867
O 0.449905 0.587326 -2.129199
O 1.518721 1.972156 -0.599089
N 2.694349 -0.544865 0.448930
N -1.958464 -1.009673 -0.408816
N -3.244682 0.766226 0.173249
C 1.352310 -0.485788 -0.172104
C 0.217157 -0.573547 0.910128
C -1.164127 -0.214092 0.447249
C 1.162815 0.829040 -0.938013
C -1.991880 0.867957 0.783953
C 3.781298 -0.393712 -0.545939
C 2.899889 -1.740817 1.294053
C -3.190385 -0.379932 -0.535139
C -1.536349 -2.223087 -1.116326
H 1.205041 -1.310600 -0.915018
H 0.494710 0.118432 1.726015
H 0.218600 -1.599747 1.325005
H 3.797771 -1.212011 -1.309334
H 4.752286 -0.392351 -0.021614
H 3.684832 0.573198 -1.066408
H 2.221473 -1.733816 2.162453
H 3.931922 -1.721420 1.684476
H 2.760198 -2.706318 0.742058
H -3.999678 -0.783077 -1.139896
H -2.427908 -2.740950 -1.506094
H -0.868930 -1.971893 -1.959355
H -1.010512 -2.909754 -0.430415
H 0.230744 1.459580 -2.557832
H -2.819296 2.452479 2.344357


