%chk=000211304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211304

0 1
S 1.283856 -0.382869 0.323425
O -0.837132 2.910174 0.194817
N 2.983586 0.689196 0.102605
N -1.163276 0.605270 0.180937
N -1.252967 -1.702502 0.050696
C 4.027919 0.487273 1.167870
C 3.562574 0.558268 -1.279902
C 2.207521 1.977957 0.294754
C 4.686232 -0.891581 1.013420
C 4.226342 -0.815468 -1.455972
C 5.292835 -1.062904 -0.383630
C 0.943060 1.381310 0.894164
C -0.417923 1.792688 0.372939
C -0.455279 -0.678148 0.239358
C -2.524858 0.291323 -0.094726
C -2.564172 -1.151661 -0.159121
C -3.661488 1.071131 -0.270688
C -3.771851 -1.801413 -0.403518
C -4.859421 0.390936 -0.515908
C -4.912855 -1.011480 -0.579901
H 3.535640 0.557313 2.163500
H 4.800811 1.285251 1.125884
H 4.297858 1.367315 -1.480148
H 2.736642 0.669275 -2.020184
H 2.704977 2.709459 0.960119
H 2.014720 2.506344 -0.662991
H 3.933386 -1.688247 1.195836
H 5.460872 -1.019888 1.792619
H 4.668859 -0.882554 -2.467834
H 3.453521 -1.612590 -1.408386
H 6.144947 -0.370553 -0.521034
H 5.709095 -2.083035 -0.492798
H 0.926398 1.428488 2.005176
H -3.614521 2.156820 -0.222831
H -3.813941 -2.887571 -0.453877
H -5.774071 0.964427 -0.661569
H -5.868896 -1.496253 -0.772605


%chk=000211304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211304

0 1
S 0.580430 -1.576254 0.034056
O -0.617814 2.206951 0.858014
N 3.228169 0.224565 -0.172770
N -1.512837 0.122559 0.206000
N -2.223905 -1.973942 -0.438219
C 4.000309 0.644618 1.025999
C 4.048625 0.278684 -1.412300
C 1.931479 0.915828 -0.294037
C 5.246413 -0.243001 1.221964
C 5.294059 -0.621772 -1.282681
C 6.131079 -0.227135 -0.044891
C 0.864531 0.241410 0.597096
C -0.480359 0.988840 0.581699
C -1.182514 -1.233511 -0.099798
C -2.914957 0.240594 0.039699
C -3.338653 -1.073406 -0.360386
C -3.801018 1.317513 0.196491
C -4.700774 -1.320593 -0.615085
C -5.166711 1.048398 -0.063245
C -5.606111 -0.243772 -0.460984
H 3.348195 0.576559 1.917234
H 4.317954 1.716267 0.934832
H 4.376452 1.327682 -1.634816
H 3.420692 -0.060753 -2.256498
H 1.979537 1.992795 -0.001412
H 1.595401 0.872349 -1.345472
H 4.917083 -1.278771 1.431810
H 5.815298 0.114132 2.101589
H 5.898649 -0.543294 -2.206338
H 4.961706 -1.673241 -1.186097
H 6.548179 0.791022 -0.190546
H 6.990078 -0.913415 0.075386
H 1.220416 0.185958 1.640773
H -3.452557 2.307296 0.501801
H -5.035804 -2.315700 -0.920720
H -5.899832 1.854779 0.044688
H -6.671888 -0.408741 -0.652339


