%chk=000273408.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273408

0 1
S -2.371404 -1.149191 -0.311542
S 0.260058 -2.597099 -0.662480
O 2.885971 -2.234632 -0.717074
N 0.083313 -0.032629 -0.122788
C -4.349620 0.525373 0.064261
C -2.858537 0.570186 0.051848
C 3.805410 0.731849 0.071003
C 1.497672 -0.266742 -0.193352
C 2.340291 0.753870 0.069754
C -5.037566 0.254780 1.258412
C -5.072338 0.753343 -1.118185
C -0.639327 -1.085850 -0.328645
C 4.480160 1.424462 1.096200
C 4.547760 0.081638 -0.927067
C -6.434120 0.216910 1.267002
C -6.468785 0.713940 -1.102119
C 1.854084 -1.677327 -0.530364
C -7.151794 0.446688 0.088758
C 5.874381 1.447913 1.125509
C 5.945196 0.118817 -0.897718
C 6.609641 0.797155 0.127116
H -2.449519 1.260576 -0.713808
H -2.424443 0.901757 1.017042
H 1.897838 1.730669 0.335888
H -4.484550 0.070804 2.178588
H -4.546394 0.957869 -2.049837
H 3.913232 1.933617 1.874819
H 4.038360 -0.460938 -1.725207
H -6.964397 0.006343 2.194792
H -7.026077 0.890846 -2.021066
H -8.239807 0.416501 0.098342
H 6.392340 1.974582 1.925874
H 6.514532 -0.390491 -1.674824
H 7.698337 0.819413 0.151066


%chk=000273408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273408

0 1
S -2.454309 -1.474386 -0.780171
S 0.215344 -2.920135 -1.458325
O 2.956341 -2.500349 -1.297063
N 0.076952 -0.452629 -0.353320
C -4.274994 0.467597 0.122011
C -2.787851 0.264402 -0.005270
C 3.749240 0.566243 0.066426
C 1.473822 -0.670707 -0.465364
C 2.309913 0.348478 -0.018449
C -4.959168 0.068602 1.300072
C -5.014774 1.064020 -0.932436
C -0.661995 -1.443694 -0.788174
C 4.152349 1.825333 0.624366
C 4.775370 -0.342659 -0.346075
C -6.351921 0.266414 1.424077
C -6.407645 1.262737 -0.810214
C 1.841750 -1.994263 -1.060430
C -7.079954 0.864468 0.368922
C 5.509115 2.164820 0.765652
C 6.132670 0.004896 -0.200961
C 6.509744 1.252241 0.351934
H -2.302502 0.985338 -0.679883
H -2.260583 0.261485 0.960309
H 1.716406 1.192406 0.363636
H -4.397200 -0.397361 2.118452
H -4.495926 1.372018 -1.848201
H 3.380314 2.535289 0.946700
H 4.501164 -1.308446 -0.774516
H -6.867748 -0.043268 2.339653
H -6.966626 1.727303 -1.629958
H -8.160390 1.019155 0.464855
H 5.789822 3.132603 1.194773
H 6.904058 -0.703569 -0.522101
H 7.569111 1.510618 0.459273


