%chk=000243161.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243161

0 1
S -2.814216 -0.957181 -0.259567
O -6.387353 0.156243 0.810817
O -5.521411 -1.776250 0.069343
N 2.072511 -0.398784 -1.063637
N 0.236509 -1.792397 -1.074955
N 0.960660 1.684277 -0.238496
N -1.472655 1.329506 0.139312
N -0.417054 3.392132 0.639268
C 4.176186 0.040671 0.232087
C 3.478585 0.032802 -1.153244
C 4.405465 -1.393891 0.746200
C 5.492849 0.813073 0.108878
C 0.999638 0.367748 -0.612859
C 4.809524 -1.423079 2.217984
C 1.548139 -1.713314 -1.314055
C -0.152111 -0.517568 -0.634842
C -1.382801 0.043085 -0.240791
C -0.295119 2.101629 0.147019
C -4.093502 0.185909 0.327366
C -5.340226 -0.620876 0.363199
H 3.510933 0.581076 0.954511
H 3.497731 1.063877 -1.585165
H 4.016708 -0.629293 -1.865547
H 3.479015 -1.989389 0.617620
H 5.179031 -1.897729 0.135674
H 5.325420 1.853499 -0.192460
H 6.175061 0.357380 -0.616396
H 6.018992 0.839868 1.071849
H 4.046774 -0.959774 2.855564
H 4.945221 -2.452806 2.568927
H 5.751248 -0.890390 2.393027
H 2.180938 -2.513844 -1.671287
H -4.187804 1.078046 -0.333356
H -3.840095 0.615466 1.324570
H 0.345193 4.038603 0.496255
H -1.339997 3.785871 0.745332
H -7.245585 -0.345996 0.851654


%chk=000243161-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243161

0 1
S -2.869808 -1.146243 -0.368591
O -6.408184 0.464594 0.779975
O -5.839747 -1.630879 -0.053482
N 2.077520 -0.448654 -1.059336
N 0.271730 -1.871324 -1.213537
N 0.949529 1.546330 -0.131706
N -1.466034 1.167458 0.191212
N -0.464294 3.216063 0.722631
C 4.194233 0.112198 0.222957
C 3.458984 0.056000 -1.145094
C 4.360552 -1.302427 0.836342
C 5.547087 0.833339 0.020310
C 0.977947 0.266180 -0.585133
C 4.925922 -1.300255 2.273790
C 1.590233 -1.722452 -1.418519
C -0.134727 -0.629133 -0.689669
C -1.383727 -0.104582 -0.272141
C -0.312048 1.933911 0.242818
C -4.105998 0.117453 0.281924
C -5.493514 -0.484753 0.295410
H 3.568561 0.721839 0.906424
H 3.417452 1.071095 -1.580885
H 4.013059 -0.597114 -1.846190
H 3.375397 -1.809532 0.843517
H 5.022406 -1.904797 0.178010
H 5.403229 1.838478 -0.418095
H 6.207394 0.256229 -0.656448
H 6.079864 0.963396 0.977794
H 4.293003 -0.689416 2.944875
H 4.959527 -2.325372 2.685313
H 5.952118 -0.892509 2.311893
H 2.247115 -2.487942 -1.827045
H -4.080965 1.015986 -0.354613
H -3.811740 0.433130 1.295214
H 0.347335 3.824245 0.779021
H -1.386894 3.533069 1.004773
H -7.320115 0.064592 0.786079


