%chk=000205962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205962

0 1
S -0.885176 -0.361545 -0.564342
N 1.353521 0.019518 0.976579
N -6.021807 -0.438622 -0.291576
N 2.302067 0.905956 1.341759
C 0.416547 0.549966 0.095500
C -3.553197 -0.336511 -0.281667
C 0.789142 1.896796 -0.112339
C -2.330947 0.362169 0.293698
C 1.430428 -1.380795 1.455755
C -4.839527 0.186701 0.388895
C 1.980377 2.088862 0.695151
C 2.224102 -2.240329 0.499269
C 0.276064 2.976342 -0.878711
C 2.631734 3.355881 0.734355
C 0.926588 4.182491 -0.822718
C 2.099960 4.371531 -0.015822
C -7.248520 0.384409 -0.069970
C -6.244925 -1.834111 0.190816
C 3.604578 -2.034576 0.359703
C 1.586354 -3.249572 -0.233950
C 4.343947 -2.844844 -0.504979
C 2.333019 -4.059200 -1.095528
C 3.710263 -3.859531 -1.230777
H -3.482906 -1.435805 -0.151704
H -3.628716 -0.174435 -1.379561
H -2.239980 0.209349 1.383352
H -2.359881 1.453878 0.119788
H -4.895717 1.289971 0.261086
H -4.811078 -0.004041 1.482044
H 0.393263 -1.772094 1.592972
H 1.914320 -1.390186 2.466125
H -0.606190 2.821017 -1.496027
H 3.520971 3.477520 1.348255
H 0.565708 5.032943 -1.398898
H 2.563960 5.357152 -0.018820
H -7.096138 1.381034 -0.514866
H -7.540878 0.511501 0.982081
H -8.091471 -0.078763 -0.608324
H -7.062275 -2.285533 -0.394580
H -6.493963 -1.922770 1.258037
H -5.340780 -2.432959 -0.005004
H 4.094532 -1.233162 0.916784
H 0.511462 -3.401103 -0.144005
H 5.415177 -2.683113 -0.615737
H 1.837708 -4.843360 -1.665833
H 4.288784 -4.490026 -1.903664


%chk=000205962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205962

0 1
S -0.934320 -0.370803 -0.848070
N 1.297342 0.012734 0.846901
N -6.232224 -0.245214 -0.151815
N 2.260553 0.906523 1.295988
C 0.412645 0.552392 -0.080439
C -3.718967 -0.303698 -0.382680
C 0.813395 1.904106 -0.258967
C -2.418501 0.283875 0.185085
C 1.360167 -1.382562 1.329240
C -4.938632 0.142569 0.457594
C 1.955873 2.077980 0.617132
C 2.294597 -2.263506 0.503629
C 0.340629 2.987032 -1.056845
C 2.621487 3.335164 0.706598
C 1.008046 4.213263 -0.958768
C 2.136718 4.384924 -0.081334
C -7.368294 0.461586 0.476492
C -6.450976 -1.705829 -0.184165
C 3.686509 -1.992665 0.469353
C 1.784358 -3.369734 -0.217597
C 4.553255 -2.821066 -0.275950
C 2.653317 -4.202479 -0.960182
C 4.039748 -3.929962 -0.990172
H -3.645779 -1.408083 -0.398284
H -3.870591 0.032618 -1.425096
H -2.248762 -0.020083 1.232301
H -2.395517 1.384072 0.116450
H -4.928663 1.247400 0.536203
H -4.833473 -0.258326 1.502308
H 0.334604 -1.787549 1.308751
H 1.704741 -1.319619 2.375390
H -0.509709 2.850227 -1.734091
H 3.481646 3.461549 1.371435
H 0.674789 5.064772 -1.562647
H 2.626285 5.364446 -0.038013
H -7.212915 1.553059 0.407511
H -7.515590 0.199787 1.555951
H -8.300837 0.215645 -0.062275
H -7.421835 -1.919090 -0.665433
H -6.460465 -2.171834 0.835445
H -5.667452 -2.201736 -0.781241
H 4.075653 -1.125760 1.015679
H 0.706935 -3.574198 -0.206539
H 5.627146 -2.604306 -0.300052
H 2.249369 -5.056379 -1.515570
H 4.714200 -4.573243 -1.566609


