%chk=000227704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227704

0 1
S 0.257463 -1.043591 -0.000495
O 0.647144 -1.629009 -1.247293
O 0.646956 -1.629732 1.246025
O 2.749167 -0.057214 -0.000106
O -0.424999 2.771814 0.000865
O 2.502975 2.219520 0.000459
N 0.674441 0.692215 0.000061
C -1.447391 -0.684672 -0.000506
C -1.694605 0.702747 -0.000019
C -0.465240 1.574228 0.000347
C -2.493224 -1.585940 -0.000918
C -2.988988 1.199041 0.000076
C 2.031437 1.115175 0.000208
C -3.815439 -1.090743 -0.000829
C -4.058382 0.279717 -0.000336
C 4.222632 0.060889 -0.000126
C 4.672912 -1.380938 -0.000486
H -2.318667 -2.664344 -0.001307
H -3.174962 2.276009 0.000453
H -4.649314 -1.794866 -0.001148
H -5.084103 0.654950 -0.000267
H 4.507867 0.620621 -0.907196
H 4.507928 0.620191 0.907189
H 5.766401 -1.458710 -0.000623
H 4.291691 -1.921470 0.879639
H 4.291500 -1.921084 -0.880767


%chk=000227704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227704

0 1
S 0.213288 -1.246818 -0.001208
O 0.621844 -1.944652 -1.399362
O 0.622211 -1.945782 1.396275
O 2.792273 -0.086925 -0.000309
O -0.463141 2.777899 0.000613
O 2.471141 2.241868 0.000413
N 0.674114 0.691167 -0.000470
C -1.588868 -0.712066 -0.000754
C -1.715499 0.685879 -0.000230
C -0.466903 1.522884 -0.000238
C -2.667713 -1.602226 -0.000907
C -3.012606 1.243230 0.000219
C 2.035314 1.074162 -0.000170
C -3.963627 -1.027112 -0.000464
C -4.131008 0.380289 0.000098
C 4.279252 0.086183 0.000125
C 4.875914 -1.315815 -0.000110
H -2.527475 -2.686946 -0.001326
H -3.115758 2.333049 0.000620
H -4.840637 -1.682144 -0.000553
H -5.140456 0.803192 0.000429
H 4.553549 0.669368 -0.897315
H 4.553088 0.668872 0.898029
H 5.978868 -1.247547 0.000199
H 4.558782 -1.877852 0.894164
H 4.559252 -1.877351 -0.894865


