%chk=000253149.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253149

0 1
S -1.881877 1.551742 0.960042
O 2.509907 2.138589 -0.530032
N 0.822482 1.497479 1.555785
N 2.092638 0.915596 1.358075
N -1.495488 -0.842987 0.070430
N -0.273353 -0.410571 0.432529
C -3.896109 -0.151357 -0.029145
C -2.480395 0.023971 0.250493
C 3.962780 0.256733 -0.076415
C -4.499174 -1.398355 0.217040
C -4.661219 0.909741 -0.543962
C -0.259639 0.837803 0.929911
C 2.813693 1.178741 0.146770
C 5.267067 0.767696 -0.086011
C 3.724220 -1.104340 -0.314371
C -5.860530 -1.573821 -0.040189
C -6.021879 0.722574 -0.797099
C -6.623120 -0.515184 -0.543953
C 6.341117 -0.095142 -0.322179
C 4.803607 -1.957908 -0.555518
C 6.109637 -1.454886 -0.555957
H -3.898175 -2.225002 0.601400
H -4.199783 1.873137 -0.759912
H 5.439179 1.831440 0.084316
H 2.702442 -1.493030 -0.326492
H 0.861668 2.517963 1.346538
H 2.173976 -0.007575 1.810913
H -6.327152 -2.539840 0.150624
H -6.615714 1.543965 -1.196725
H -7.685005 -0.655147 -0.742745
H 7.358482 0.294321 -0.328750
H 4.625813 -3.016030 -0.745991
H 6.949207 -2.124617 -0.742722


%chk=000253149-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253149

0 1
S -1.987725 1.753834 -0.041891
O 3.212985 2.374034 0.027537
N 0.792398 1.350195 -0.018241
N 1.902556 0.494987 0.007334
N -1.934517 -0.936113 0.016769
N -0.596188 -0.553729 0.016969
C -4.268860 -0.084085 -0.014591
C -2.812681 0.059218 -0.009964
C 4.344457 0.199022 0.046257
C -4.836592 -1.391703 0.017328
C -5.134375 1.043210 -0.049929
C -0.448914 0.791566 -0.011562
C 3.149739 1.095108 0.025013
C 5.608465 0.816685 0.230350
C 4.274489 -1.211061 -0.115322
C -6.234331 -1.557183 0.013933
C -6.533902 0.869729 -0.052953
C -7.090896 -0.429651 -0.021055
C 6.783343 0.038394 0.263095
C 5.451902 -1.987147 -0.081996
C 6.708721 -1.366024 0.109517
H -4.164510 -2.254811 0.044458
H -4.716462 2.056991 -0.075508
H 5.638755 1.905251 0.342494
H 3.318661 -1.720552 -0.286253
H 1.053281 2.342588 -0.019430
H 1.659710 -0.499348 0.047420
H -6.659275 -2.566587 0.038825
H -7.188859 1.747226 -0.080298
H -8.178152 -0.562856 -0.023437
H 7.754574 0.523607 0.407427
H 5.390486 -3.073091 -0.209935
H 7.621020 -1.972006 0.134337


