%chk=000225089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225089

0 1
S 0.991924 2.121835 -0.181839
S -0.539561 1.305551 0.888606
O 2.975491 -2.106793 -1.400100
O -4.935952 1.685358 -0.876800
O 5.990926 0.604924 0.833699
O -4.229842 -2.629327 0.642989
N 3.638438 0.633517 0.770272
N -3.077143 -0.625882 1.094727
N 4.754303 -0.972461 -0.412145
N -4.894829 -0.569828 -0.295324
C 2.585734 -0.095784 0.013943
C -3.134016 0.769347 0.576639
C 1.844650 0.762323 -0.999622
C -1.931921 1.174872 -0.263099
C 3.392163 -1.213671 -0.712670
C -4.423245 0.765283 -0.299966
C 4.933802 0.175084 0.448631
C -4.064191 -1.446013 0.496932
H 1.874723 -0.572892 0.744120
H -3.288396 1.471625 1.444132
H 1.153458 0.138206 -1.605978
H 2.537767 1.231765 -1.735420
H -2.124857 2.147955 -0.768950
H -1.717153 0.444868 -1.068101
H 3.460190 1.555662 1.154913
H -2.204351 -1.010517 1.443041
H 5.529221 -1.553904 -0.721805
H -5.744130 -0.886102 -0.757725


%chk=000225089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225089

0 1
S 1.038457 2.398574 -0.461107
S -0.500291 1.576647 0.989323
O 2.617017 -2.213265 -1.024434
O -5.020109 1.700105 -0.681579
O 6.130576 0.426673 0.709058
O -4.035524 -2.809189 0.317167
N 3.780509 0.791542 0.523221
N -2.909572 -0.767140 0.817610
N 4.597711 -1.156811 -0.232489
N -4.832458 -0.646110 -0.334283
C 2.605332 0.062355 0.035102
C -3.119091 0.669667 0.598738
C 1.821930 0.783727 -1.074782
C -1.995727 1.385633 -0.176601
C 3.229465 -1.263492 -0.483842
C -4.445368 0.687965 -0.222254
C 4.971224 0.088028 0.384800
C -3.917208 -1.565442 0.286046
H 1.900813 -0.182330 0.856742
H -3.309557 1.206124 1.551342
H 1.033856 0.127503 -1.475847
H 2.487225 1.105120 -1.896398
H -2.331413 2.389568 -0.478175
H -1.685323 0.799484 -1.055596
H 3.740482 1.718102 0.944567
H -2.117242 -1.167452 1.316487
H 5.288227 -1.872674 -0.460643
H -5.670736 -0.967909 -0.819072


