%chk=000250319.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250319

0 1
S 0.523025 1.628230 1.556658
S -0.845859 0.117614 1.342446
S 1.054928 1.554785 -1.360582
S -0.313622 0.044147 -1.576175
N 4.675876 0.980903 -0.130769
N -4.464644 0.694045 0.113928
C 1.815599 1.337589 0.290568
C -1.605005 0.333832 -0.309263
C 2.477330 -0.012186 0.463569
C 2.794002 2.495717 0.445742
C -2.583863 -0.823635 -0.464378
C -2.266496 1.684207 -0.482059
C 3.728755 -0.145840 -0.421940
C 4.039563 2.304167 -0.440760
C -3.830683 -0.630504 0.419042
C -3.515088 1.819110 0.408162
C 5.947981 0.826996 -0.915015
C -5.732601 0.871952 0.899633
C 6.717975 -0.386611 -0.449189
C -6.780687 -0.121017 0.454846
C 6.933753 -0.607732 0.919816
C -7.056441 -0.297248 -0.909954
C 7.248457 -1.281262 -1.389837
C -7.505041 -0.848901 1.409852
C 7.674981 -1.713524 1.341393
C -8.048897 -1.192979 -1.313083
C 7.993106 -2.384722 -0.962075
C -8.500297 -1.741715 1.000555
C 8.208003 -2.603002 0.401826
C -8.774176 -1.915561 -0.359144
H 1.784803 -0.853363 0.248856
H 2.780712 -0.146001 1.528098
H 3.129763 2.556798 1.508374
H 2.325220 3.476144 0.221412
H -2.116678 -1.804425 -0.237730
H -2.918213 -0.887672 -1.527233
H -2.573388 1.815274 -1.545941
H -1.572087 2.524597 -0.270713
H 4.248359 -1.099748 -0.174953
H 3.440131 -0.205461 -1.493655
H 3.773324 2.420529 -1.514021
H 4.775687 3.103711 -0.202232
H -4.572175 -1.426412 0.176707
H -3.571153 -0.752040 1.492899
H -3.219766 1.872465 1.478867
H -4.029033 2.775090 0.165288
H 6.577290 1.730111 -0.728398
H 5.774998 0.787958 -2.013685
H -6.118357 1.899862 0.695722
H -5.571067 0.812003 1.999043
H 6.506803 0.083859 1.647831
H -6.480959 0.262517 -1.649005
H 7.084330 -1.122399 -2.453258
H -7.298291 -0.722654 2.470219
H 7.838449 -1.883219 2.404222
H -8.259104 -1.328286 -2.372639
H 8.405147 -3.075973 -1.695028
H -9.062386 -2.303149 1.744670
H 8.787137 -3.462295 0.732315
H -9.548727 -2.610678 -0.675247


%chk=000250319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250319

0 1
S 0.570210 1.727129 1.629913
S -0.804363 -0.070114 1.467951
S 1.032614 1.669551 -1.466118
S -0.342137 -0.127155 -1.630025
N 4.721792 0.984774 -0.283312
N -4.494964 0.596438 0.281611
C 1.861888 1.394651 0.249119
C -1.633298 0.198866 -0.248116
C 2.524006 0.018447 0.384871
C 2.899180 2.537152 0.395270
C -2.664304 -0.949371 -0.393704
C -2.302257 1.571798 -0.384549
C 3.753289 -0.113067 -0.535785
C 4.116284 2.311140 -0.531530
C -3.883990 -0.728988 0.529518
C -3.532163 1.697081 0.537514
C 6.000204 0.798204 -1.011492
C -5.774746 0.778811 1.008624
C 6.817948 -0.380515 -0.490329
C -6.891683 -0.121449 0.487543
C 6.916807 -0.627742 0.902608
C -7.059220 -0.324253 -0.906203
C 7.528009 -1.216792 -1.385888
C -7.804384 -0.731558 1.382255
C 7.713436 -1.687334 1.388762
C -8.120540 -1.117558 -1.393908
C 8.330398 -2.276354 -0.902067
C -8.871249 -1.523406 0.896870
C 8.426226 -2.514541 0.487942
C -9.033046 -1.718473 -0.493744
H 1.792961 -0.780118 0.163730
H 2.846925 -0.096077 1.436799
H 3.248931 2.538074 1.446126
H 2.436891 3.519827 0.183962
H -2.196760 -1.928725 -0.179230
H -3.012393 -0.956627 -1.445120
H -2.628043 1.681360 -1.436118
H -1.574576 2.374247 -0.165661
H 4.253944 -1.075064 -0.328757
H 3.425069 -0.124046 -1.604622
H 3.796234 2.432765 -1.597764
H 4.871061 3.091661 -0.319618
H -4.635419 -1.510080 0.317827
H -3.571486 -0.842217 1.598743
H -3.197655 1.713874 1.604354
H -4.036031 2.659292 0.328712
H 6.586292 1.730742 -0.880226
H 5.841205 0.676094 -2.113268
H -6.072025 1.838775 0.874639
H -5.658451 0.620165 2.111143
H 6.349267 0.011922 1.587902
H -6.338682 0.137229 -1.590898
H 7.450482 -1.041401 -2.466543
H -7.679230 -0.589328 2.463326
H 7.780076 -1.869439 2.467689
H -8.238922 -1.267143 -2.473409
H 8.873104 -2.916315 -1.607211
H -9.569291 -1.990119 1.601322
H 9.044679 -3.336972 0.865016
H -9.857400 -2.333731 -0.871851


