%chk=000258592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258592

0 1
S 1.342372 0.634643 1.547366
O 1.816936 -2.055739 -0.709672
O 3.721289 -0.763974 -0.634565
O 2.458253 3.443557 1.134603
N -0.801798 0.265682 -0.006507
N -2.198285 1.903364 -0.824991
N -2.550516 -1.410325 0.659353
N -4.822947 -0.633141 0.177862
N -5.292464 1.461523 -0.812730
C 1.354589 -0.705406 -0.812547
C 2.639367 0.169608 -0.778640
C 0.417995 -0.430014 0.380431
C 2.659033 1.140667 0.399731
C 3.229276 -2.103198 -0.349418
C 2.417930 2.594567 -0.007577
C 3.912137 -3.051955 -1.311003
C 3.382839 -2.424771 1.119783
C -2.109349 -0.218829 0.141242
C -0.925993 1.571376 -0.598035
C -2.966086 0.814654 -0.378304
C -4.372260 0.563867 -0.343323
C -3.904695 -1.539048 0.642301
H 0.815236 -0.667125 -1.785862
H 2.844450 0.673773 -1.749208
H 0.155734 -1.404590 0.895346
H 3.638101 1.056431 0.944606
H 1.454592 2.730370 -0.546073
H 3.248904 2.985040 -0.632889
H 3.536885 -2.914190 -2.335252
H 4.995811 -2.873486 -1.333628
H 3.739718 -4.100483 -1.039225
H 3.027051 -1.605626 1.760739
H 2.805164 -3.318737 1.390618
H 4.432176 -2.604148 1.384862
H -0.052860 2.187088 -0.800760
H 1.676070 3.294823 1.714934
H -4.321081 -2.478126 1.047988
H -4.994152 2.352275 -1.179488
H -6.279522 1.262902 -0.761069


%chk=000258592-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258592

0 1
S 1.392970 0.824486 1.642923
O 1.827116 -1.794347 -1.143022
O 3.759525 -0.869810 -0.130960
O 2.372176 3.736293 0.970223
N -0.761796 0.400303 -0.148761
N -2.352838 1.805731 -1.031456
N -2.255002 -1.309947 0.860791
N -4.632860 -0.796709 0.492761
N -5.371234 1.112613 -0.687298
C 1.532936 -0.380201 -0.902362
C 2.923341 0.254079 -0.590145
C 0.513191 -0.176378 0.267370
C 2.837120 1.332551 0.497675
C 3.055301 -2.163193 -0.377363
C 2.626612 2.752066 -0.071782
C 3.905991 -3.049516 -1.284526
C 2.702818 -2.797198 0.973469
C -2.009563 -0.163824 0.168615
C -1.038276 1.582956 -0.861698
C -2.973165 0.715012 -0.389762
C -4.340884 0.354859 -0.202267
C -3.597187 -1.549382 0.975649
H 1.094519 -0.001116 -1.841335
H 3.378307 0.672699 -1.511202
H 0.261314 -1.153310 0.711139
H 3.740407 1.308431 1.128808
H 1.811236 2.749120 -0.829806
H 3.553198 3.092713 -0.566977
H 4.124362 -2.525896 -2.229194
H 4.856612 -3.298114 -0.783486
H 3.368173 -3.986072 -1.511455
H 2.174009 -2.075041 1.617980
H 2.070727 -3.688626 0.820741
H 3.627664 -3.100809 1.493471
H -0.254199 2.245990 -1.218899
H 1.592770 3.419601 1.503477
H -3.881744 -2.453880 1.520928
H -5.175630 1.969515 -1.200415
H -6.328115 0.807652 -0.520852


