%chk=000252056.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252056

0 1
S 3.385967 1.500837 0.004307
O 1.046683 -2.461476 -0.036280
O 1.280094 2.136318 0.019039
N 1.190989 -0.148791 -0.008577
N 3.469079 -1.120403 -0.027940
C -1.670418 -0.019127 0.002471
C -1.023845 -1.291506 -0.015310
C -0.913218 1.192351 0.014838
C -3.088234 0.047458 0.007980
C 0.459420 -1.412138 -0.021604
C 0.561453 1.141494 0.009292
C -1.777115 -2.450937 -0.027128
C -1.553399 2.418370 0.032024
C -3.838390 -1.170323 -0.004513
C -3.721677 1.329224 0.025815
C -3.196860 -2.385795 -0.021618
C -2.972108 2.482337 0.037491
C 2.613239 -0.120127 -0.012919
C 4.942586 0.715531 -0.010438
C 4.799064 -0.638649 -0.026469
H -1.281206 -3.429486 -0.040852
H -0.967855 3.345303 0.041490
H -4.928669 -1.114879 -0.000185
H -4.812716 1.374544 0.029980
H -3.763687 -3.317920 -0.031206
H -3.452859 3.461513 0.051077
H 5.851855 1.287714 -0.006465
H 5.584427 -1.388235 -0.038201


%chk=000252056-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252056

0 1
S 3.635566 1.592391 0.005208
O 1.097934 -2.400591 -0.036408
O 1.163707 2.341133 0.021969
N 1.213695 -0.009796 -0.007327
N 3.398825 -1.083741 -0.027863
C -1.692611 0.012579 0.002847
C -0.993816 -1.230623 -0.014720
C -0.966432 1.239790 0.015382
C -3.136029 0.031601 0.008000
C 0.497287 -1.302762 -0.020948
C 0.515395 1.253629 0.010633
C -1.715179 -2.437339 -0.026970
C -1.652895 2.466182 0.032730
C -3.840842 -1.215466 -0.004802
C -3.807720 1.297258 0.025705
C -3.139301 -2.427785 -0.021970
C -3.076702 2.492365 0.037865
C 2.646665 0.003436 -0.011817
C 5.097715 0.551900 -0.012375
C 4.764756 -0.790904 -0.028350
H -1.157237 -3.378704 -0.040457
H -1.070424 3.392577 0.042174
H -4.937090 -1.207263 -0.000984
H -4.903852 1.316993 0.029629
H -3.682100 -3.378270 -0.031791
H -3.596392 3.455621 0.051492
H 6.089528 1.001215 -0.009736
H 5.470147 -1.622225 -0.041017


