%chk=000250653.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250653

0 1
S 3.340102 0.000817 0.128999
O 4.457721 0.630222 0.786459
O 3.082087 -1.406310 0.271910
O -3.767799 -1.295037 -0.792921
O -4.475403 0.566936 0.217762
N 1.986506 0.895069 0.757336
C 0.625553 0.586090 0.575372
C -0.347421 1.509450 1.035935
C 0.221137 -0.595686 -0.084505
C -2.097322 0.096004 0.127255
C -1.693377 1.260622 0.809695
C -1.131300 -0.831079 -0.302682
C 3.323921 0.413807 -1.559191
C -3.529288 -0.120006 -0.101503
H 2.184271 1.677795 1.400294
H -0.044784 2.409888 1.565145
H 0.946393 -1.362463 -0.371574
H -2.454548 1.967654 1.157175
H -1.456105 -1.746786 -0.809166
H 3.851000 -0.325746 -2.185189
H 2.315570 0.484533 -1.998276
H 3.809734 1.378262 -1.778847
H -4.738648 -1.446236 -0.943783


%chk=000250653-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250653

0 1
S 3.197580 -0.024969 0.204411
O 4.044354 0.526165 1.484110
O 2.574058 -1.525379 0.167180
O -4.092731 -1.363863 -0.466710
O -4.519245 0.188341 1.208767
N 1.751685 1.307680 -0.218543
C 0.423785 0.855372 -0.017267
C -0.423063 1.473264 0.952152
C -0.095295 -0.186562 -0.839703
C -2.283074 0.053889 0.236460
C -1.768187 1.090247 1.060569
C -1.433917 -0.586711 -0.705719
C 4.252817 0.220308 -1.356238
C -3.708044 -0.327412 0.400548
H 2.005730 2.078132 0.432935
H -0.018483 2.257259 1.603902
H 0.555971 -0.667601 -1.574364
H -2.435356 1.565893 1.786395
H -1.839861 -1.387500 -1.329088
H 5.101710 -0.469866 -1.251945
H 3.605125 -0.027364 -2.206614
H 4.563486 1.273151 -1.360550
H -5.051046 -1.574673 -0.304987


