%chk=000250315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250315

0 1
S -1.578379 -2.863839 0.098902
O 0.578404 1.548554 0.070748
O 1.729648 -2.318994 -0.750493
O -1.549379 -2.277618 1.426215
O -2.856674 -3.244903 -0.465576
N -1.005931 -1.655052 -1.011674
C -0.033221 -0.709490 -0.567673
C -0.362278 0.563531 -0.207566
C 2.357584 -0.079726 -0.323751
C 1.386677 -1.164789 -0.575006
C 1.922737 1.213701 -0.011062
C -1.706835 1.149833 -0.068335
C 3.748992 -0.312059 -0.381103
C 2.808256 2.276935 0.246753
C -2.592985 0.618941 0.882696
C -2.087553 2.240072 -0.866882
C 4.642028 0.722054 -0.132953
C 4.170323 2.012868 0.181899
C -0.453060 -4.165210 -0.008325
C -3.868356 1.172443 1.016507
C -3.365649 2.784795 -0.725084
C -4.255633 2.250799 0.213933
H -1.702475 -1.240595 -1.649941
H 4.098772 -1.320817 -0.622860
H 2.418099 3.263070 0.490588
H -2.285391 -0.227705 1.516274
H -1.386769 2.657388 -1.589402
H 5.714952 0.540900 -0.177537
H 4.887275 2.812946 0.377157
H -0.124543 -4.547704 0.970123
H -0.831397 -5.031725 -0.570910
H 0.498299 -3.882343 -0.525144
H -4.561544 0.757650 1.748943
H -3.668738 3.627301 -1.344987
H -5.252957 2.677090 0.320727


%chk=000250315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250315

0 1
S -1.489649 -3.000420 0.384621
O 0.613813 1.663115 -0.130775
O 1.747499 -2.337632 -0.489937
O -1.014030 -2.529715 1.872522
O -3.073228 -3.253741 0.079448
N -0.933802 -1.624950 -0.961773
C -0.001638 -0.669412 -0.510075
C -0.357191 0.661800 -0.246126
C 2.403019 -0.024391 -0.247916
C 1.411197 -1.109430 -0.416906
C 1.980545 1.324589 -0.142307
C -1.725610 1.205152 -0.121852
C 3.797912 -0.295043 -0.220601
C 2.893421 2.392243 -0.013967
C -2.707445 0.510239 0.640856
C -2.059057 2.449514 -0.724197
C 4.723539 0.753085 -0.094544
C 4.269163 2.097931 0.008009
C -0.473072 -4.495774 -0.188068
C -4.007541 1.041646 0.766082
C -3.361694 2.972810 -0.594637
C -4.341730 2.267141 0.143231
H -1.862647 -1.214201 -1.187467
H 4.112906 -1.340118 -0.303538
H 2.517683 3.415574 0.073192
H -2.440046 -0.405068 1.180979
H -1.297598 2.992635 -1.293039
H 5.796783 0.539158 -0.073247
H 4.993198 2.913160 0.109275
H -0.598671 -5.255476 0.596158
H -0.913063 -4.792791 -1.149165
H 0.550697 -4.106058 -0.289016
H -4.753366 0.501263 1.357821
H -3.613750 3.927628 -1.068356
H -5.354249 2.673840 0.240516


