%chk=000218770.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218770

0 1
S 8.379426 0.415436 -1.133888
S 9.048505 0.330210 0.809132
O -2.798404 -1.228885 -0.007864
O 7.879002 1.325926 1.487488
O 8.830584 -0.972047 1.336947
O 10.274586 1.044370 0.931037
N 4.483082 -0.613389 -0.583416
N -4.439492 0.437455 0.134481
C 0.715722 0.013113 -0.222963
C 2.030900 -0.768022 -0.329489
C -0.485405 -0.937013 -0.168401
C 3.234976 0.186456 -0.379063
C -1.789122 -0.153061 -0.065764
C 5.707265 0.246595 -0.540270
C 6.864261 -0.594296 -1.075807
C -4.102517 -0.858105 0.090723
C -6.786397 -0.288165 0.291357
C -5.796805 0.736367 0.235992
C -5.029835 -1.960844 0.140407
C -6.358614 -1.657097 0.240044
C -8.158569 0.084807 0.395105
C -6.192321 2.111385 0.284922
C -8.517558 1.410652 0.440721
C -7.523672 2.430485 0.384929
H 0.614457 0.699815 -1.087095
H 0.729401 0.657175 0.678548
H 2.026521 -1.404415 -1.238804
H 2.128181 -1.467170 0.523375
H -0.510648 -1.589073 -1.065569
H -0.398673 -1.631589 0.692054
H 3.265057 0.815500 0.536920
H 3.131915 0.881082 -1.243063
H -1.876151 0.448793 0.854118
H -2.004103 0.471798 -0.948577
H 4.550686 -1.340709 0.138755
H 5.933927 0.639311 0.479865
H 5.545275 1.138086 -1.189119
H 6.661111 -0.931615 -2.116837
H 7.025251 -1.517997 -0.481448
H -4.644936 -2.975804 0.097303
H -7.113141 -2.444304 0.282036
H -8.913010 -0.700147 0.437217
H -5.415541 2.875040 0.240701
H -9.562819 1.703066 0.519844
H -7.842434 3.472428 0.423299
H 8.183177 2.014796 2.101815


%chk=000218770-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218770

0 1
S 8.350066 0.643912 -1.420997
S 9.478026 0.035815 0.707270
O -2.924821 -1.381501 0.062533
O 9.263440 1.679895 1.555109
O 8.518263 -1.043967 1.452152
O 11.067009 -0.258673 0.632159
N 4.454187 -0.305383 -0.425825
N -4.575456 0.307733 0.127653
C 0.610600 0.038905 -0.144054
C 1.991758 -0.642227 -0.265607
C -0.546694 -0.984519 -0.088519
C 3.150405 0.372615 -0.309293
C -1.909671 -0.296917 0.004879
C 5.651089 0.529834 -0.577614
C 6.813619 -0.356959 -1.062749
C -4.256357 -0.991433 0.121237
C -6.966424 -0.361766 0.232191
C -5.925209 0.643454 0.182738
C -5.209731 -2.068592 0.169695
C -6.558133 -1.741611 0.224472
C -8.334836 0.047327 0.285672
C -6.292189 2.024547 0.189690
C -8.669575 1.405706 0.290549
C -7.640406 2.397097 0.242475
H 0.461404 0.721366 -1.006477
H 0.589322 0.674079 0.765737
H 2.028045 -1.265705 -1.179738
H 2.135684 -1.329143 0.595207
H -0.526610 -1.626274 -0.990349
H -0.418546 -1.653016 0.784748
H 3.100674 1.030217 0.593808
H 3.032903 1.037029 -1.188740
H -2.004315 0.329747 0.911802
H -2.119689 0.343644 -0.872197
H 4.573890 -1.087000 0.231308
H 5.960639 1.057558 0.354347
H 5.432938 1.309945 -1.331948
H 6.554531 -0.910027 -1.984446
H 7.087390 -1.098379 -0.282128
H -4.849480 -3.099962 0.161047
H -7.319545 -2.529084 0.261800
H -9.119309 -0.718514 0.322595
H -5.490420 2.768533 0.152341
H -9.719441 1.715163 0.331370
H -7.913249 3.458338 0.247154
H 9.967324 1.734596 2.268641


