%chk=000250320.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250320

0 1
S 0.000098 0.428099 -0.004462
S 0.619369 3.233408 0.789374
S -0.618882 3.216358 -0.856451
N 3.685002 -0.104418 0.994593
N -3.684876 -0.124692 -0.992179
C 1.327939 1.557479 0.599335
C -1.327632 1.544821 -0.631595
C 2.475935 1.566402 -0.391139
C 1.749267 1.096629 1.984701
C -2.475614 1.574462 0.358492
C -1.749028 1.055308 -2.007074
C 3.226828 0.222987 -0.396154
C 2.513353 -0.239508 1.922902
C -3.226648 0.231520 0.391455
C -2.513252 -0.279176 -1.917496
C 4.497988 -1.367566 1.006760
C -4.498004 -1.387733 -0.978075
C 5.797410 -1.173960 0.260657
C -5.797389 -1.178526 -0.236127
C 6.224641 -2.140280 -0.661479
C -6.224675 -2.125401 0.705940
C 6.597144 -0.047564 0.508436
C -6.597035 -0.057465 -0.507282
C 7.444906 -1.981306 -1.325465
C -7.444908 -1.952532 1.366506
C 7.812990 0.107879 -0.160410
C -7.812848 0.111975 0.158215
C 8.240569 -0.859200 -1.076986
C -8.240483 -0.835775 1.094739
H 3.195330 2.374111 -0.123673
H 2.133596 1.800372 -1.420114
H 0.880432 0.993912 2.667214
H 2.415489 1.860043 2.449048
H -3.194928 2.376510 0.074294
H -2.133236 1.829746 1.382375
H -0.880214 0.938331 -2.687315
H -2.415178 1.808971 -2.487186
H 2.592374 -0.572408 -0.843978
H 4.131110 0.313977 -1.040030
H 2.903279 -0.478315 2.936919
H 1.823026 -1.064017 1.639587
H -2.592269 -0.554453 0.855719
H -4.130909 0.335980 1.033314
H -2.903215 -0.538975 -2.926324
H -1.823004 -1.097686 -1.617108
H 3.939638 -2.243588 0.607891
H 4.740794 -1.607951 2.069768
H -3.939740 -2.255341 -0.561105
H -4.740863 -1.650126 -2.035854
H 5.611875 -3.015642 -0.864177
H -5.611978 -2.996406 0.926803
H 6.253366 0.707733 1.217024
H -6.253213 0.682888 -1.231452
H 7.774473 -2.734460 -2.038837
H -7.774519 -2.690643 2.095412
H 8.429734 0.983965 0.032660
H -8.429524 0.983904 -0.053037
H 9.189205 -0.737310 -1.594892
H -9.189094 -0.703047 1.610020


%chk=000250320-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250320

0 1
S 0.000640 0.261046 -0.015058
S 0.529632 3.175870 0.957418
S -0.530021 3.155615 -1.041034
N 3.752237 -0.191180 0.913345
N -3.756927 -0.205249 -0.915982
C 1.346643 1.481547 0.657218
C -1.347921 1.468918 -0.704003
C 2.519769 1.579044 -0.336394
C 1.839789 0.961829 2.026775
C -2.515990 1.586951 0.293240
C -1.848387 0.923239 -2.060896
C 3.282120 0.242563 -0.427869
C 2.624967 -0.358554 1.859382
C -3.278928 0.253122 0.414239
C -2.634989 -0.392236 -1.864567
C 4.614595 -1.395977 0.852430
C -4.619366 -1.408419 -0.827607
C 5.960992 -1.140329 0.180873
C -5.960509 -1.141141 -0.150188
C 6.544473 -2.122364 -0.656513
C -6.537104 -2.108778 0.708453
C 6.671375 0.062823 0.423348
C -6.673236 0.057488 -0.407769
C 7.817793 -1.914163 -1.235840
C -7.805889 -1.890987 1.294100
C 7.940656 0.276093 -0.157500
C -7.938019 0.280377 0.179275
C 8.520644 -0.713124 -0.987375
C -8.511098 -0.694542 1.030598
H 3.213106 2.361424 0.028038
H 2.149300 1.878684 -1.332247
H 0.984473 0.811705 2.708581
H 2.518394 1.719569 2.465460
H -3.210449 2.362845 -0.082767
H -2.140114 1.905527 1.281150
H -0.996608 0.758699 -2.743833
H -2.527876 1.673646 -2.510678
H 2.620938 -0.530892 -0.894883
H 4.162113 0.369041 -1.082393
H 3.030554 -0.664477 2.841997
H 1.914405 -1.159979 1.526993
H -2.615810 -0.512194 0.891763
H -4.155170 0.392527 1.071153
H -3.046330 -0.715638 -2.839155
H -1.924140 -1.188793 -1.521195
H 4.104976 -2.250252 0.337178
H 4.789505 -1.720881 1.898515
H -4.105863 -2.253833 -0.301654
H -4.802440 -1.751328 -1.866548
H 5.999316 -3.053250 -0.858941
H -5.990160 -3.036015 0.922449
H 6.206111 0.825016 1.058476
H -6.213276 0.808760 -1.059574
H 8.256049 -2.682976 -1.882515
H -8.238789 -2.648737 1.957240
H 8.478906 1.211333 0.035777
H -8.478115 1.212025 -0.025824
H 9.505978 -0.547407 -1.437695
H -9.492926 -0.521333 1.485725


