%chk=000246477.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246477

0 1
S -0.135136 2.010962 0.788995
S -4.612663 0.105822 -1.462098
N 0.506398 -1.297264 0.938647
N -0.860425 -2.977526 0.168049
N -2.711679 -1.507223 -0.642393
N -2.297483 0.885365 -0.306964
C 1.714632 -0.654817 1.481038
C -0.626073 -0.666622 0.406764
C 2.672083 -0.171572 0.413524
C -1.488893 -1.749914 -0.070273
C 0.321536 -2.681456 0.752803
C -1.100304 0.652461 0.253525
C 2.873309 -0.891085 -0.771615
C 3.400144 1.005067 0.647816
C -3.045410 -0.205493 -0.728672
C 3.795077 -0.433011 -1.718007
C 4.323396 1.454728 -0.299508
C 4.522517 0.737482 -1.483795
C -1.167280 3.457980 0.496751
C -4.756602 1.900988 -1.449877
H 2.245365 -1.385994 2.141148
H 1.404091 0.188818 2.149160
H 1.051412 -3.418833 1.068845
H 2.309678 -1.801831 -0.970968
H 3.246653 1.575891 1.562051
H 3.943472 -0.991711 -2.641757
H 4.886327 2.368903 -0.115855
H 5.239743 1.091604 -2.222325
H -0.594921 4.346988 0.789691
H -2.096682 3.419082 1.081051
H -1.448617 3.546555 -0.562515
H -4.718703 2.308988 -0.431701
H -5.724328 2.158074 -1.899514
H -3.957533 2.380494 -2.029821


%chk=000246477-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246477

0 1
S -0.146196 2.114383 0.816360
S -4.675849 0.029795 -1.476382
N 0.513632 -1.272921 0.968575
N -0.865620 -2.978464 0.257658
N -2.697679 -1.546781 -0.582575
N -2.321449 0.855372 -0.304388
C 1.740184 -0.649335 1.496446
C -0.625789 -0.657724 0.425458
C 2.712634 -0.155989 0.422379
C -1.477010 -1.740951 -0.009560
C 0.304188 -2.650862 0.830857
C -1.107588 0.663814 0.266387
C 2.747263 -0.729696 -0.871122
C 3.633509 0.869500 0.749562
C -3.049005 -0.242762 -0.702748
C 3.694605 -0.286421 -1.821857
C 4.584291 1.308477 -0.197638
C 4.617798 0.730449 -1.488073
C -1.344591 3.498684 0.393160
C -4.771615 1.906354 -1.465990
H 2.234274 -1.415370 2.125194
H 1.460359 0.181853 2.168244
H 1.045846 -3.371869 1.172092
H 2.031406 -1.513023 -1.144952
H 3.602692 1.332487 1.744058
H 3.708906 -0.733174 -2.822144
H 5.289890 2.103973 0.066437
H 5.350704 1.073362 -2.226625
H -0.829317 4.426321 0.686605
H -2.277483 3.367606 0.958488
H -1.552189 3.485359 -0.685256
H -4.722456 2.281414 -0.434098
H -5.745116 2.148434 -1.921239
H -3.950126 2.329606 -2.061114


