%chk=000244305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244305

0 1
S 2.968149 1.032571 -0.156874
O 4.402211 1.175916 0.735732
O 2.117836 2.094880 0.311114
O 3.403166 0.977435 -1.520157
O -3.282173 -2.412693 0.731619
O -1.138550 -2.402603 0.958229
N 1.075830 -0.645596 0.171214
N -2.199329 -1.852855 0.683318
C 0.179326 -0.051220 1.213856
C -1.065511 0.397190 0.483109
C 2.512057 -0.537794 0.518145
C -2.175888 -0.440590 0.262836
C -1.113666 1.718259 0.005558
C -3.325517 0.050556 -0.391501
C -2.244293 2.197084 -0.652242
C -3.357873 1.364345 -0.843912
H 0.664222 0.834524 1.696675
H -0.062790 -0.761429 2.037946
H 3.089386 -1.368576 0.046595
H 2.760847 -0.619561 1.601023
H 0.812073 -1.633751 0.028365
H -0.231929 2.363231 0.138688
H -4.184692 -0.614002 -0.537791
H -2.263882 3.224234 -1.022856
H -4.243523 1.745983 -1.351998
H 5.054313 1.816763 0.428708


%chk=000244305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244305

0 1
S 3.078323 2.635696 0.041683
O 4.134517 0.873996 -0.038273
O 2.046248 2.296791 -1.193530
O 2.293097 2.417936 1.481811
O -3.404753 -1.705457 2.000961
O -1.225955 -2.240445 1.648285
N 1.080228 -1.180433 0.631715
N -2.264062 -1.465970 1.463753
C 0.399050 0.026014 1.190013
C -0.859997 0.344127 0.382952
C 2.247822 -1.218309 0.051915
C -2.120721 -0.297638 0.572664
C -0.801623 1.395601 -0.563273
C -3.293415 0.122055 -0.098135
C -1.961540 1.801094 -1.264826
C -3.209387 1.179943 -1.022688
H 1.098352 0.890932 1.201412
H 0.143335 -0.226746 2.235110
H 2.583855 -2.196859 -0.320272
H 2.932246 -0.318934 -0.030602
H 0.475606 -2.019194 0.748630
H 0.171327 1.879339 -0.757479
H -4.236653 -0.393225 0.102780
H -1.884132 2.610465 -1.998259
H -4.106511 1.505547 -1.558535
H 4.834542 0.935976 0.667586


