%chk=000250703.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250703

0 1
S 1.943853 -0.248061 -1.519110
O 6.231952 0.829146 0.598866
N -2.687244 -0.762236 0.263932
N -0.974581 -1.650152 -0.994650
N -1.564144 1.378579 0.947766
N 0.703010 1.549110 0.045380
N 4.926320 -0.734273 -0.523816
N 5.706086 -1.108043 1.716209
C -4.026031 -0.607030 0.864370
C -5.052519 -0.160811 -0.187741
C -6.448429 -0.030606 0.435313
C -1.646989 0.167106 0.304339
C -0.573498 -0.408577 -0.485711
C -2.226441 -1.840553 -0.551494
C 0.609050 0.359557 -0.577629
C -7.480416 0.409325 -0.599384
C 3.264566 0.982703 -1.314810
C 4.580529 0.257667 -1.573423
C -0.379664 2.007394 0.780761
C 5.655140 -0.247538 0.594662
H -4.324586 -1.573613 1.329903
H -3.960599 0.147812 1.687576
H -4.742884 0.809661 -0.628387
H -5.078054 -0.875038 -1.033501
H -6.758150 -0.995322 0.883642
H -6.423796 0.699834 1.269241
H -2.845443 -2.704313 -0.756971
H -8.475687 0.505178 -0.149154
H -7.226885 1.382505 -1.037057
H -7.562978 -0.308153 -1.424026
H 3.237646 1.442522 -0.301848
H 3.113845 1.821994 -2.020882
H 5.407373 1.014322 -1.639087
H 4.572170 -0.282720 -2.549491
H -0.246024 2.985770 1.271932
H 4.200495 -1.436559 -0.357264
H 6.404818 -0.879474 2.414281
H 5.539486 -2.096416 1.614963


%chk=000250703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250703

0 1
S 1.989284 -0.415519 -2.244216
O 5.829583 1.127288 1.021658
N -2.527973 -1.095011 -0.072954
N -0.944634 -1.870307 -1.556764
N -1.364903 0.939626 0.731904
N 0.822098 1.222535 -0.332633
N 4.471928 -0.386448 -0.146216
N 4.792359 -0.615176 2.174269
C -3.797930 -0.976497 0.670308
C -4.843109 -0.108725 -0.066253
C -6.159725 0.005487 0.734941
C -1.471629 -0.183862 -0.029830
C -0.495439 -0.681439 -0.955589
C -2.156473 -2.074827 -1.005718
C 0.686771 0.094619 -1.079863
C -7.211815 0.875971 0.014847
C 3.310040 0.924931 -1.936570
C 4.622844 0.300371 -1.428402
C -0.183412 1.588559 0.525132
C 5.073512 0.106369 1.012651
H -4.190183 -1.995887 0.842984
H -3.562648 -0.527849 1.652024
H -4.418491 0.899739 -0.231840
H -5.048987 -0.543339 -1.064589
H -6.575808 -1.007676 0.911830
H -5.944384 0.435992 1.733724
H -2.805025 -2.917570 -1.238236
H -8.144873 0.946110 0.602569
H -6.834161 1.903076 -0.143936
H -7.466759 0.454633 -0.975540
H 2.863466 1.612201 -1.198099
H 3.457034 1.436900 -2.901499
H 5.360207 1.107857 -1.262773
H 5.040384 -0.390216 -2.187205
H -0.015131 2.501657 1.102233
H 3.820279 -1.172142 -0.108661
H 5.220959 -0.283153 3.033594
H 4.194044 -1.437581 2.200419


