%chk=000231304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231304

0 1
S -2.095389 1.152928 0.752971
O -2.789999 1.224017 2.026404
O -2.123679 2.284713 -0.134463
N -0.447799 0.956555 1.348515
N 1.912640 0.765389 1.158121
N 0.454545 0.541394 -0.806367
N -3.451360 -3.872140 -1.996076
C 4.340615 0.581896 1.031535
C 4.981972 -0.814604 1.030823
C -2.484412 -0.291545 -0.044193
C 2.994708 0.562083 0.363287
C 0.665140 0.756854 0.547812
C -3.029310 -1.368408 0.677594
C -2.282450 -0.418510 -1.429773
C 6.360451 -0.793772 1.684019
C 2.855079 0.353327 -1.027230
C -3.159366 -2.675107 -1.356420
C -3.370531 -2.551944 0.043725
C -2.617306 -1.591297 -2.092570
C 1.564485 0.350060 -1.564871
H 4.999222 1.312308 0.517351
H 4.247938 0.950444 2.078634
H 4.320489 -1.524474 1.568343
H 5.060988 -1.196204 -0.006290
H -0.254547 1.109675 2.354768
H -3.196595 -1.265579 1.757874
H -1.859339 0.424153 -1.995207
H 7.051194 -0.125263 1.157496
H 6.309624 -0.456846 2.726512
H 6.810605 -1.793484 1.687076
H 3.725433 0.204450 -1.654922
H -3.788861 -3.377158 0.611458
H -2.454948 -1.677622 -3.162264
H 1.388642 0.190324 -2.636246
H -3.958005 -4.596618 -1.518813
H -3.434870 -3.932596 -2.998814


%chk=000231304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231304

0 1
S -1.854784 0.857337 0.934890
O -2.483177 0.814622 2.436331
O -1.906912 2.206969 0.042609
N -0.088363 0.403782 1.324808
N 2.209108 0.616989 0.985557
N 0.669710 0.439304 -0.916108
N -4.218022 -3.743729 -2.189797
C 4.648651 0.728316 0.760788
C 5.078027 -0.626093 1.394133
C -2.530830 -0.574182 -0.037890
C 3.276643 0.651067 0.129570
C 0.963374 0.501464 0.424080
C -3.176414 -1.600092 0.676278
C -2.427606 -0.559856 -1.440333
C 6.450095 -0.529171 2.092720
C 3.076855 0.602277 -1.275660
C -3.657902 -2.692531 -1.474915
C -3.740625 -2.662923 -0.048388
C -2.997441 -1.623993 -2.157638
C 1.748704 0.502594 -1.745264
H 5.395310 1.039126 0.005977
H 4.630032 1.496054 1.557214
H 4.300310 -0.932330 2.118719
H 5.108911 -1.405885 0.607589
H 0.118613 0.551505 2.320912
H -3.250788 -1.549833 1.767202
H -1.905790 0.258980 -1.942536
H 7.244463 -0.239388 1.379127
H 6.430295 0.226684 2.900029
H 6.736930 -1.497067 2.542484
H 3.919574 0.648819 -1.969538
H -4.252819 -3.472078 0.484549
H -2.932471 -1.636188 -3.251614
H 1.528971 0.470021 -2.818218
H -4.694014 -4.504536 -1.713421
H -4.171612 -3.768633 -3.204445


