%chk=000188791.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188791

0 1
S 2.242252 1.979487 -1.114174
O -1.794407 -0.773898 -0.016706
N -4.320946 1.127377 0.224332
N 0.465319 -0.106979 -0.160315
N -0.272737 -2.182681 0.934683
C -3.652113 0.362822 -0.878696
C -2.136221 0.487952 -0.720939
C -4.297980 0.347669 1.497653
C -5.725504 1.468741 -0.150420
C -0.493815 -1.002009 0.247580
C 1.764862 -0.421140 0.146618
C 2.760952 0.536342 -0.291145
C 2.079522 -1.603896 0.842850
C 4.127654 0.520179 -0.171576
C 1.023713 -2.453542 1.215595
C 4.752713 1.679089 -0.748191
C 3.860736 2.557927 -1.295953
H -3.948967 0.795165 -1.859246
H -3.932960 -0.716537 -0.907387
H -1.818710 1.333951 -0.084811
H -1.596072 0.501815 -1.680695
H -3.272413 -0.015892 1.692188
H -4.966573 -0.524975 1.519068
H -4.572188 1.021653 2.324119
H -6.180879 2.046328 0.670984
H -6.373962 0.606272 -0.361866
H -5.713639 2.125298 -1.034813
H 3.105582 -1.854332 1.087045
H 4.699862 -0.267048 0.300597
H 1.209965 -3.389174 1.760923
H 5.825762 1.814743 -0.734551
H 4.072593 3.494491 -1.784851


%chk=000188791-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188791

0 1
S 2.244789 1.980410 -1.277224
O -1.782421 -0.711011 0.154448
N -4.412064 1.035681 0.303310
N 0.481330 -0.105195 -0.079752
N -0.231379 -2.106287 1.130431
C -3.622779 0.551559 -0.852039
C -2.112204 0.526320 -0.615824
C -4.513046 0.056286 1.409750
C -5.743311 1.530394 -0.104539
C -0.454329 -0.967831 0.401333
C 1.800453 -0.396607 0.185655
C 2.796059 0.533097 -0.337411
C 2.143641 -1.554720 0.935792
C 4.187835 0.505387 -0.237200
C 1.082180 -2.372123 1.381528
C 4.838864 1.607505 -0.889501
C 3.946642 2.485207 -1.493002
H -3.795380 1.258337 -1.687218
H -3.948148 -0.459301 -1.208062
H -1.785402 1.408940 -0.038778
H -1.556861 0.493330 -1.570835
H -3.509953 -0.278885 1.712707
H -5.103200 -0.853093 1.130381
H -5.005895 0.535754 2.274868
H -6.261349 1.953339 0.774959
H -6.403253 0.735620 -0.538223
H -5.635067 2.334601 -0.855021
H 3.179828 -1.810414 1.164411
H 4.734145 -0.281623 0.288697
H 1.277002 -3.278946 1.964471
H 5.922494 1.743823 -0.910072
H 4.162180 3.395644 -2.050142


