%chk=000258857.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258857

0 1
O -1.488565 -0.190055 -0.229862
O 0.950675 -2.338232 -1.709379
N 2.540528 -1.167245 0.483327
N 4.885902 1.750931 0.091471
C 0.505364 -1.227941 -0.909150
C -3.132671 1.372490 0.389248
C 1.057679 -1.328567 0.527451
C -1.027708 -1.359632 -0.942620
C -2.908035 0.063552 -0.393179
C 2.962830 0.266647 0.467532
C -2.661948 2.579325 -0.426428
C -4.609955 1.500109 0.772426
C 4.466500 0.320219 0.125103
H 0.838098 -0.289492 -1.407525
H -2.514751 1.314240 1.322961
H 0.531060 -0.582859 1.165472
H 0.818735 -2.331020 0.944441
H -1.397356 -1.359895 -1.982582
H -1.385979 -2.264433 -0.424769
H -3.467497 -0.784228 0.035823
H -3.142368 0.160851 -1.465291
H 2.954873 -1.637840 1.295252
H 2.391181 0.814282 -0.316910
H 2.758351 0.794854 1.422325
H -2.706316 3.501563 0.161495
H -3.267717 2.731526 -1.325339
H -1.621110 2.440338 -0.749534
H -4.792679 2.433182 1.318427
H -4.934779 0.677249 1.418022
H -5.260875 1.511054 -0.108658
H 4.627104 -0.124110 -0.883826
H 5.051736 -0.297456 0.838567
H 1.919640 -2.465117 -1.575366
H 4.940074 2.133744 1.029743
H 5.808079 1.840466 -0.322870


%chk=000258857-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258857

0 1
O -1.593973 0.159385 -0.246177
O 1.223847 -1.777896 -1.636153
N 2.567166 -0.967638 0.502736
N 5.791001 0.936476 -0.021293
C 0.568729 -0.687128 -0.915802
C -3.645842 1.269190 0.469301
C 1.108251 -0.677555 0.544956
C -0.940244 -0.930817 -0.980295
C -3.056412 0.052171 -0.264114
C 3.444324 0.197339 0.229828
C -3.280025 2.584780 -0.253971
C -5.177362 1.106136 0.611955
C 4.922439 -0.235673 0.168537
H 0.794491 0.286662 -1.402193
H -3.193223 1.287505 1.481657
H 0.862762 0.285782 1.036955
H 0.614281 -1.490814 1.109195
H -1.275547 -0.945270 -2.039363
H -1.179953 -1.917231 -0.524591
H -3.369711 -0.893182 0.235484
H -3.421575 0.022870 -1.317562
H 2.885433 -1.493102 1.326854
H 3.167262 0.641463 -0.741759
H 3.322527 0.997906 1.000057
H -3.638700 3.462690 0.314673
H -3.744456 2.618512 -1.259070
H -2.186806 2.667299 -0.377963
H -5.611619 1.964838 1.155549
H -5.441705 0.185023 1.165171
H -5.663727 1.059259 -0.381888
H 5.053896 -0.916042 -0.692214
H 5.158173 -0.832826 1.087589
H 2.089693 -1.886235 -1.120424
H 5.814521 1.588823 0.766881
H 6.720186 0.735798 -0.396747


