%chk=000257475.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257475

0 1
S 0.243328 0.035124 0.656907
O 0.626677 1.411466 0.419372
O 0.827488 -0.713040 1.756184
O -3.936284 1.713514 -1.967029
O -5.835595 1.109650 -0.950954
N 0.534273 -0.850621 -0.788190
C 2.980059 -0.884113 -1.563962
C 3.632398 -0.496126 -0.223364
C 1.552591 -0.308417 -1.725321
C 3.009970 -2.418380 -1.730846
C 3.857822 1.015093 -0.088179
C 4.635004 1.348322 1.193686
C 2.585219 -2.875782 -3.123334
C 4.843578 2.853429 1.347583
C -1.483973 -0.069725 0.809265
C -2.312542 0.546051 -0.129073
C -2.035301 -0.765029 1.891656
C -3.706654 0.456451 0.016553
C -3.423648 -0.851584 2.038984
C -4.262072 -0.242736 1.103809
C -4.625673 1.086802 -0.950630
H 3.594490 -0.436756 -2.387773
H 3.026388 -0.864338 0.629988
H 4.605193 -1.019241 -0.129298
H 1.186264 -0.528307 -2.756610
H 1.588201 0.805085 -1.641810
H 4.036801 -2.784165 -1.524792
H 2.371852 -2.898940 -0.963765
H 4.401656 1.403004 -0.968926
H 2.881330 1.549032 -0.072010
H 4.084859 0.957485 2.073687
H 5.613674 0.831764 1.191146
H 0.648657 -1.870863 -0.682634
H 1.544097 -2.610366 -3.341284
H 3.208928 -2.426067 -3.904661
H 2.672238 -3.963954 -3.224222
H 3.884553 3.385579 1.386131
H 5.384567 3.086200 2.270851
H 5.416195 3.271037 0.512762
H -1.894004 1.102079 -0.979704
H -1.374967 -1.242422 2.629772
H -3.849973 -1.391889 2.884585
H -5.351517 -0.301606 1.206205
H -4.546748 2.149301 -2.622756


%chk=000257475-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257475

0 1
S 0.235162 0.182382 0.607069
O 0.533715 1.710429 0.125101
O 0.895072 -0.430615 1.973501
O -4.201634 1.934960 -1.851355
O -6.084910 1.082953 -0.788776
N 0.581728 -0.908315 -0.892053
C 3.070511 -0.927040 -1.600214
C 3.708643 -0.501000 -0.249376
C 1.634324 -0.370116 -1.804525
C 3.137062 -2.472015 -1.774725
C 3.993945 1.012641 -0.108398
C 4.637607 1.363953 1.253138
C 2.620007 -3.002054 -3.130344
C 4.925000 2.873083 1.405025
C -1.633940 -0.031607 0.772013
C -2.465418 0.646898 -0.127112
C -2.101229 -0.839138 1.821095
C -3.864762 0.489966 0.036437
C -3.501765 -0.982692 1.968214
C -4.377083 -0.325900 1.079700
C -4.836661 1.167732 -0.868064
H 3.675533 -0.475845 -2.417783
H 3.066677 -0.829188 0.595831
H 4.664910 -1.052532 -0.134385
H 1.278296 -0.598096 -2.827034
H 1.621374 0.732306 -1.705785
H 4.193605 -2.779250 -1.644927
H 2.588618 -2.969897 -0.944780
H 4.665797 1.339496 -0.930549
H 3.055804 1.592637 -0.208415
H 3.957191 1.032924 2.063164
H 5.579275 0.789683 1.376630
H 0.833015 -1.830080 -0.482178
H 1.536569 -2.825839 -3.260743
H 3.144546 -2.511678 -3.972190
H 2.789858 -4.090735 -3.217624
H 3.991252 3.459370 1.316782
H 5.377522 3.102749 2.387482
H 5.620753 3.227694 0.620529
H -2.062783 1.285245 -0.918081
H -1.390389 -1.315411 2.504619
H -3.901501 -1.602439 2.776583
H -5.463086 -0.423618 1.178177
H -4.888810 2.369999 -2.423675


