%chk=000249370.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249370

0 1
S 5.074237 -0.506256 -0.263607
O 3.743948 2.169960 0.945739
O 2.559386 -0.776855 -2.495847
N 2.336134 1.581007 -0.815203
N 2.305006 -2.257941 -0.729645
N 1.209833 2.028635 -0.170191
N 0.940714 -2.081102 -0.718202
N -5.330840 0.697601 1.726080
N -4.461551 -2.277077 -3.607279
C 4.732384 1.129259 -1.002010
C 4.568712 -1.672911 -1.572891
C 5.969807 1.987771 -0.853586
C 5.093520 -3.037588 -1.188259
C 3.583525 1.684966 -0.147199
C 3.055321 -1.521648 -1.668509
C 0.025116 1.803854 -0.676914
C 0.183987 -2.714587 0.137728
C -1.111565 2.392299 0.083026
C -1.274583 -2.437834 0.030210
C -2.215611 1.596959 0.419151
C -1.907278 -2.466502 -1.219967
C -1.080789 3.745575 0.461079
C -2.016948 -2.150777 1.188444
C -0.293023 1.051491 -1.929514
C 0.623057 -3.672658 1.201844
C -3.290665 2.171852 1.115140
C -3.287678 -2.219169 -1.299264
C -2.156273 4.306095 1.155492
C -3.389569 -1.912356 1.097749
C -3.268189 3.527370 1.483461
C -4.033990 -1.944196 -0.142254
C -4.422575 1.360647 1.454513
C -3.938002 -2.250719 -2.576887
H 4.456855 1.029865 -2.079898
H 5.002846 -1.366920 -2.561491
H 6.223069 2.164812 0.206278
H 5.820045 2.981123 -1.302760
H 6.848692 1.538517 -1.333540
H 4.872749 -3.322473 -0.150614
H 6.190554 -3.082804 -1.291728
H 4.683931 -3.822328 -1.842497
H 2.254744 1.035232 -1.695935
H 2.780071 -2.784368 0.013108
H -2.236893 0.538694 0.149376
H -1.330116 -2.672980 -2.125039
H -0.205206 4.353765 0.219959
H -1.521798 -2.106305 2.159446
H 0.225451 0.071661 -1.966373
H 0.016581 1.612603 -2.823428
H -1.363354 0.841409 -2.046494
H 1.294848 -4.448669 0.808965
H 1.139885 -3.153493 2.023518
H -0.224909 -4.211491 1.652995
H -2.124995 5.356733 1.445753
H -3.968851 -1.696234 1.999588
H -4.109090 3.963937 2.022099
H -5.107967 -1.751952 -0.206816


%chk=000249370-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249370

0 1
S 5.176618 -0.387172 -0.227663
O 3.866959 2.745742 0.475949
O 2.579475 -0.817572 -2.494260
N 2.342473 1.645713 -0.944234
N 2.247212 -2.248453 -0.669615
N 1.237811 2.111750 -0.250378
N 0.867293 -2.098865 -0.717817
N -5.791636 0.971632 0.681580
N -4.298957 -1.725281 -3.735809
C 4.748898 1.218329 -1.231707
C 4.555483 -1.759160 -1.425790
C 6.008708 2.083178 -1.357889
C 5.058989 -3.106246 -0.878588
C 3.628061 1.953225 -0.471605
C 3.048375 -1.585961 -1.597805
C 0.034226 1.833279 -0.732376
C 0.143650 -2.636147 0.253665
C -1.096260 2.303398 0.117123
C -1.328451 -2.462050 0.115809
C -2.387169 1.729868 0.006705
C -1.895251 -2.274846 -1.172866
C -0.885005 3.324140 1.091559
C -2.188438 -2.445138 1.248423
C -0.209075 1.085516 -2.030792
C 0.739208 -3.379306 1.438784
C -3.444447 2.160816 0.853999
C -3.287957 -2.061202 -1.323193
C -1.938531 3.763308 1.916073
C -3.574399 -2.220225 1.097692
C -3.224563 3.189210 1.808879
C -4.135821 -2.024857 -0.179662
C -4.733973 1.526083 0.757575
C -3.843146 -1.877616 -2.640894
H 4.399487 0.848353 -2.211459
H 5.007250 -1.547600 -2.408057
H 6.335040 2.433586 -0.364822
H 5.788618 2.977642 -1.970430
H 6.827055 1.517785 -1.833831
H 4.769174 -3.274738 0.176396
H 6.160985 -3.133572 -0.913433
H 4.673477 -3.942720 -1.489399
H 2.248846 0.956295 -1.712942
H 2.706073 -2.781829 0.079792
H -2.583627 0.927272 -0.710017
H -1.241849 -2.299394 -2.049607
H 0.119243 3.748454 1.181761
H -1.777991 -2.565734 2.256503
H 0.071676 0.017444 -1.946752
H 0.409437 1.514907 -2.842872
H -1.258516 1.151337 -2.353618
H 1.361356 -4.232065 1.099331
H 1.378011 -2.717221 2.056358
H -0.040238 -3.799310 2.089260
H -1.759403 4.557266 2.648486
H -4.219634 -2.179905 1.980467
H -4.046158 3.522793 2.450269
H -5.205974 -1.830637 -0.295355


