%chk=000227006.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227006

0 1
 S    2.963500      0.9908000      0.2881000    
 O    4.107200      0.9471000     -0.6021000    
 O    3.140400       1.208700       1.711000    
 N    1.829600       2.122800     -0.3011000    
 N   0.5598000       2.157200      0.3998000    
 N   4.1600000E-02  -4.136700     -0.4364000    
 C   -1.826300       2.468500      0.4161000    
 C    2.094200     -0.5344000      7.2200000E-02
 C   -2.470300       1.111800      0.2983000    
 C  -0.4849000       2.500200     -0.2901000    
 C    2.229300      -1.225500      -1.118800    
 C    1.295900      -1.006700       1.098700    
 C   -3.307800      0.8447000     -0.7752000    
 C   -2.216800      0.1495000       1.265100    
 C  -0.4689000       2.865400      -1.754800    
 C   0.7344000      -2.920300     -0.2649000    
 C    1.543800      -2.428400      -1.288700    
 C   0.6104000      -2.209600      0.9289000    
 C   -3.904600     -0.4115000     -0.8841000    
 C   -2.813300      -1.106600       1.156300    
 C   -3.657200      -1.387000      8.1600003E-02
 H   -1.681600       2.726700       1.472800    
 H   -2.478900       3.245700      1.9000000E-03
 H    1.865400       2.393300      -1.289500    
 H    2.847400     -0.8552000      -1.930800    
 H    1.184000     -0.4663000       2.033500    
 H   -3.508100       1.597000      -1.532600    
 H   -1.563300      0.3585000       2.107200    
 H   0.2240000       3.693800      -1.924800    
 H  -0.1636000       1.997000      -2.345000    
 H   -1.461600       3.180400      -2.086400    
 H    1.646900      -2.972100      -2.224400    
 H  -1.2900000E-02  -2.585500       1.736000    
 H   -4.561700     -0.6300000      -1.720800    
 H   -2.623400      -1.865700       1.909300    
 H   -4.121700      -2.365100     -2.9000000E-03
 H  -0.5503000      -4.490600      0.3034000    
 H   0.1285000      -4.651100      -1.302800    


%chk=000227006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227006

0 1
S 3.001666 0.846325 -0.191970
O 4.059380 1.067262 -1.411054
O 3.165347 1.611196 1.235546
N 1.330131 1.327793 -1.056715
N 0.298981 1.386494 -0.136388
N 2.270586 -5.052990 0.890233
C -1.900756 2.043397 0.620901
C 2.757125 -0.961233 0.132146
C -3.199080 1.431837 0.089627
C -0.787128 2.083673 -0.411105
C 3.050376 -1.875274 -0.896572
C 2.308260 -1.360381 1.404284
C -4.425291 2.137540 0.171220
C -3.196758 0.134536 -0.486749
C -0.972761 2.877816 -1.690135
C 2.431168 -3.696004 0.638741
C 2.888942 -3.246579 -0.639068
C 2.147078 -2.733016 1.655721
C -5.625800 1.562039 -0.306750
C -4.393126 -0.442582 -0.965978
C -5.613259 0.269346 -0.877760
H -1.527023 1.466597 1.486577
H -2.104617 3.073813 0.974638
H 1.560300 2.184405 -1.610230
H 3.413442 -1.517213 -1.865253
H 2.107195 -0.610640 2.175540
H -4.441982 3.140917 0.615363
H -2.252221 -0.418704 -0.556094
H -0.239108 3.708531 -1.760756
H -0.824855 2.236429 -2.580649
H -1.983328 3.311528 -1.743188
H 3.118100 -3.977521 -1.422982
H 1.799897 -3.068007 2.639855
H -6.565886 2.120825 -0.234262
H -4.376217 -1.445958 -1.406949
H -6.541683 -0.178453 -1.249704
H 1.953267 -5.381793 1.797730
H 2.478737 -5.745152 0.176189


