%chk=000258506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258506

0 1
S -4.189655 0.183459 1.471029
O -0.683434 -2.013433 -1.507758
N 2.456418 0.234509 -0.352718
N -1.688179 1.085097 0.933757
N -2.269502 -0.973318 -0.137484
N 0.386047 2.190440 0.666750
N 3.898187 -0.063748 1.376590
C 1.278373 0.051157 -1.242385
C -0.049237 0.072973 -0.514708
C -0.416773 1.114359 0.340790
C -0.974991 -1.040302 -0.767132
C 3.432830 1.241586 -0.462523
C 2.781486 -0.521914 0.768624
C -2.561839 0.029503 0.643588
C 4.309889 1.037374 0.608895
C -4.946572 -1.440469 0.902422
H 1.334512 0.847092 -2.009343
H 1.342678 -0.922795 -1.760153
H -1.953585 1.787344 1.628432
H 3.447553 1.941965 -1.294870
H 2.185763 -1.370181 1.096376
H 1.383205 2.160075 0.448663
H 0.045863 2.961674 1.236310
H 5.204210 1.600099 0.866827
H -4.341673 -2.274378 1.282853
H -4.961225 -1.462979 -0.195226
H -5.963550 -1.453387 1.323191


%chk=000258506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258506

0 1
S -4.157483 0.128566 1.561104
O -0.714095 -1.969265 -1.599464
N 2.451889 0.258377 -0.385631
N -1.674990 1.047826 0.980754
N -2.264716 -0.976114 -0.136255
N 0.393438 2.164670 0.716400
N 3.917131 -0.056925 1.320805
C 1.264650 0.081405 -1.263622
C -0.053833 0.080564 -0.519103
C -0.410689 1.095357 0.372077
C -0.987592 -1.020864 -0.803296
C 3.428348 1.264788 -0.500454
C 2.791701 -0.508501 0.724377
C -2.547936 -0.001504 0.680570
C 4.319717 1.050310 0.556961
C -4.967726 -1.454372 0.945889
H 1.304673 0.891050 -2.017288
H 1.329283 -0.881609 -1.801423
H -1.946090 1.748634 1.674822
H 3.431358 1.973675 -1.325633
H 2.199687 -1.359093 1.052804
H 1.384070 2.148527 0.469456
H 0.075368 2.892773 1.351935
H 5.218166 1.609769 0.807470
H -5.162460 -2.104760 1.809760
H -4.238727 -1.914449 0.254586
H -5.896343 -1.187031 0.423197


