%chk=000262189.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262189

0 1
S -1.342106 1.913157 0.273135
O 3.462141 -1.936299 -1.269983
O -0.150141 2.113106 -0.535875
O -2.338159 2.969598 0.293128
N 2.266851 0.044935 0.414658
N -0.925536 1.707787 1.921820
C 2.228619 1.361015 1.135144
C 3.389785 -0.817161 0.910488
C 2.420283 0.276973 -1.061237
C 1.509452 1.215614 2.484660
C 3.351505 -2.152731 0.151219
C 2.421645 -1.076561 -1.782688
C 0.065859 0.698605 2.355844
C -2.070291 0.405854 -0.155941
C -3.460265 0.269007 -0.085086
C -1.278252 -0.663938 -0.584455
C -4.060659 -0.942974 -0.439941
C -1.877212 -1.876238 -0.938647
C -3.268009 -2.014315 -0.865724
H 3.236559 1.798217 1.294382
H 1.666762 2.094117 0.499034
H 4.387525 -0.343892 0.784730
H 3.243553 -0.993656 1.996372
H 1.554727 0.901516 -1.400085
H 3.342451 0.840540 -1.317111
H 2.073628 0.519991 3.137410
H 1.524882 2.192969 3.004426
H 4.234754 -2.779842 0.363580
H 2.423454 -2.713902 0.356273
H 1.453549 -1.597986 -1.687169
H 2.700147 -0.980946 -2.847110
H -0.271858 0.316573 3.349357
H 0.046345 -0.177661 1.666543
H -0.938080 2.539459 2.521526
H -4.080431 1.112516 0.240692
H -0.186321 -0.555752 -0.645215
H -5.142930 -1.050355 -0.386598
H -1.262023 -2.710479 -1.272136
H -3.735600 -2.959860 -1.143218


%chk=000262189-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262189

0 1
S -1.375391 1.927860 0.161144
O 3.691054 -1.940083 -1.223079
O -0.095712 2.032706 -0.851850
O -2.462954 3.136318 0.215936
N 2.405866 0.108376 0.401414
N -0.948674 1.678610 1.939168
C 2.300402 1.384525 1.156236
C 3.388720 -0.840537 0.986444
C 2.721974 0.343962 -1.035718
C 1.538604 1.227014 2.490400
C 3.379356 -2.160776 0.197502
C 2.725631 -0.987838 -1.799484
C 0.092569 0.699061 2.337730
C -2.241423 0.294355 -0.212591
C -3.601588 0.192550 0.119652
C -1.501465 -0.722724 -0.835809
C -4.257852 -1.021054 -0.189515
C -2.176561 -1.930366 -1.132433
C -3.545894 -2.076924 -0.808323
H 3.310492 1.818575 1.366301
H 1.760685 2.099138 0.508829
H 4.422965 -0.411679 0.970683
H 3.125358 -1.049769 2.040081
H 1.951240 1.015656 -1.454720
H 3.721995 0.830733 -1.155435
H 2.082731 0.527495 3.156338
H 1.531402 2.203119 3.017378
H 4.156671 -2.850823 0.565774
H 2.379709 -2.640151 0.292054
H 1.707025 -1.436810 -1.775697
H 3.039773 -0.846959 -2.846676
H -0.260180 0.281696 3.302130
H 0.095902 -0.132039 1.608114
H -0.857291 2.626802 2.344163
H -4.124031 1.035051 0.583778
H -0.447758 -0.567414 -1.089757
H -5.319834 -1.138683 0.049441
H -1.634437 -2.748672 -1.617776
H -4.062475 -3.013299 -1.045624


