%chk=000187344.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187344

0 1
S -0.245095 -0.669076 -0.692918
S -1.526037 0.382748 1.825708
O 1.334206 -1.070988 -1.963625
N -2.852663 -0.780425 -0.154081
N 2.337810 -0.211543 -0.252725
N 2.402185 -0.753281 -1.450551
C 3.601271 0.158479 0.450801
C -2.991667 -1.476669 -1.468474
C -4.131054 -0.557315 0.591427
C 4.005202 -0.926193 1.462063
C 1.048794 -0.003079 0.456329
C -1.673340 -0.371971 0.332926
C -3.124562 -0.479101 -2.614909
C -4.435490 -1.728846 1.519191
C 5.294600 -0.539990 2.177104
H 3.448796 1.138217 0.958242
H 4.410869 0.307348 -0.302241
H -3.887071 -2.138979 -1.425954
H -2.125664 -2.160395 -1.638670
H -4.950367 -0.410496 -0.145978
H -4.061633 0.391782 1.181003
H 3.194951 -1.085962 2.202481
H 4.133060 -1.899006 0.943850
H 1.025287 -0.546937 1.426803
H 0.869566 1.078093 0.652357
H -3.991687 0.180065 -2.491436
H -2.239082 0.168863 -2.697474
H -3.232771 -0.998210 -3.574768
H -4.513971 -2.680327 0.984045
H -3.647033 -1.844073 2.280249
H -5.376476 -1.564973 2.057288
H 6.132361 -0.421117 1.479434
H 5.190726 0.398752 2.734644
H 5.586279 -1.312397 2.900957


%chk=000187344-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187344

0 1
S -0.053166 0.021107 -1.521828
S -0.630118 1.129350 1.379627
O 3.168450 0.254946 -2.950359
N -2.173128 -0.670775 0.023348
N 2.654608 0.432893 -0.761590
N 3.550197 0.009488 -1.747651
C 3.023875 0.049583 0.619415
C -2.533905 -1.562731 -1.116089
C -3.130425 -0.674895 1.167097
C 2.437187 -1.309225 1.067913
C 1.435225 1.140592 -1.095072
C -1.058982 0.122252 0.056269
C -3.419793 -0.861755 -2.167733
C -2.759457 -1.725571 2.232739
C 2.859113 -1.636573 2.515635
H 2.678587 0.848540 1.300126
H 4.127534 0.010289 0.650705
H -3.061894 -2.433371 -0.685850
H -1.608575 -1.944351 -1.582511
H -4.134860 -0.873939 0.749762
H -3.129970 0.333764 1.613479
H 1.334856 -1.273227 0.998596
H 2.789845 -2.096234 0.374417
H 1.095174 1.750525 -0.238713
H 1.590616 1.725402 -2.014040
H -4.358412 -0.490313 -1.718463
H -2.887877 -0.008739 -2.621571
H -3.682667 -1.573134 -2.971388
H -2.734565 -2.745235 1.806875
H -1.770032 -1.496303 2.663005
H -3.504482 -1.712817 3.048696
H 3.960308 -1.673972 2.616171
H 2.477508 -0.875454 3.221720
H 2.459525 -2.617120 2.830361


