%chk=000248726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248726

0 1
S 3.031146 0.899634 1.607492
S -2.332660 0.473039 -0.305925
N 2.061111 4.386632 -1.112463
N 3.211769 4.269729 -0.597291
C 1.305094 2.293979 -0.064441
C 1.055033 3.435248 -0.885242
C 2.614390 2.199972 0.498357
C 0.260181 1.345246 0.135635
C -0.959798 1.551589 -0.459511
C -0.229576 3.621146 -1.488550
C -1.217635 2.695429 -1.277576
C 3.790556 -0.347659 0.515212
C -1.775844 -0.902700 0.751408
C 2.717843 -1.199662 -0.074080
C -2.956162 -1.816387 0.798199
C 3.539261 3.182058 0.229196
C 2.189701 -0.897771 -1.339918
C 2.233011 -2.313964 0.630597
C -3.119369 -2.807793 -0.183145
C -3.907740 -1.689790 1.823139
C 1.193674 -1.705726 -1.894181
C 1.239135 -3.119411 0.069479
C -4.221363 -3.665002 -0.134188
C -5.007176 -2.550919 1.866024
C 0.719502 -2.819708 -1.194137
C -5.165771 -3.539737 0.889823
H 0.466456 0.471410 0.757984
H -0.388676 4.507704 -2.107513
H -2.204217 2.824040 -1.730007
H 4.487247 -0.931577 1.154341
H 4.420881 0.135513 -0.256426
H -1.485247 -0.534801 1.754799
H -0.878413 -1.395066 0.319768
H 4.558834 3.191291 0.628177
H 2.552364 -0.032374 -1.892784
H 2.631157 -2.553716 1.615159
H -2.391009 -2.904654 -0.986724
H -3.794171 -0.917699 2.582712
H 0.786825 -1.466195 -2.876412
H 0.871696 -3.986828 0.616817
H -4.345848 -4.431590 -0.897551
H -5.743547 -2.449301 2.662069
H -0.046033 -3.455485 -1.634496
H -6.023316 -4.208847 0.925676


%chk=000248726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248726

0 1
S 2.817869 0.927783 1.905282
S -2.575081 0.681067 -0.361179
N 2.221811 4.235742 -1.360067
N 3.404432 4.084635 -0.720352
C 1.249459 2.313384 -0.070385
C 1.163180 3.383499 -1.047893
C 2.516674 2.186950 0.590658
C 0.115468 1.480310 0.166081
C -1.070865 1.691716 -0.545505
C -0.070260 3.587994 -1.750453
C -1.161566 2.763363 -1.506176
C 3.681187 -0.452859 0.853172
C -1.975461 -0.725771 0.792335
C 2.726895 -1.241308 -0.004287
C -3.067462 -1.760603 0.917744
C 3.533824 3.081946 0.240240
C 2.560762 -0.926586 -1.378331
C 1.975571 -2.313445 0.547334
C -3.176590 -2.809575 -0.032329
C -4.002033 -1.699510 1.982986
C 1.662395 -1.663417 -2.182532
C 1.078513 -3.052452 -0.254079
C -4.196318 -3.779576 0.082918
C -5.022973 -2.669003 2.100218
C 0.918527 -2.728165 -1.623562
C -5.122605 -3.711846 1.150303
H 0.221324 0.685280 0.908895
H -0.113463 4.403518 -2.478493
H -2.100047 2.916883 -2.050431
H 4.159155 -1.068815 1.633223
H 4.460044 0.058524 0.266318
H -1.729635 -0.267432 1.764248
H -1.064401 -1.140538 0.330519
H 4.514476 3.046875 0.723149
H 3.138220 -0.104648 -1.818384
H 2.097202 -2.567416 1.607588
H -2.462362 -2.857336 -0.863326
H -3.929298 -0.890491 2.719798
H 1.545419 -1.408523 -3.241465
H 0.512289 -3.883034 0.182854
H -4.269934 -4.585297 -0.655996
H -5.737345 -2.611761 2.928848
H 0.230164 -3.306403 -2.250361
H -5.913864 -4.464359 1.240375


