%chk=000210669.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210669

0 1
S 4.890543 1.068528 0.214976
O 2.627692 -3.142269 -1.419539
O -5.888390 -1.386218 0.240970
N -0.748485 0.778721 0.266861
N 0.210535 0.240353 1.087370
N 3.595045 -1.218553 0.435949
C 1.108570 2.021769 -0.017275
C -0.235079 1.867198 -0.423064
C 1.753626 3.170147 -0.698638
C -0.673277 2.888198 -1.408935
C 0.614630 3.756603 -1.593014
C 1.356762 0.994339 0.923139
C 2.609008 0.698993 1.668492
C 3.645907 0.092632 0.758391
C -2.074622 0.225455 0.220302
C 4.518342 -1.841290 -0.555966
C 2.482141 -2.138993 0.804950
C 3.711693 -2.266326 -1.793674
C 1.722430 -2.545325 -0.469588
C -2.817260 0.304986 -0.966639
C -2.613502 -0.394964 1.371164
C -4.112156 -0.217987 -1.015189
C -3.893874 -0.922433 1.329244
C -4.638371 -0.826571 0.130987
C -6.750128 -1.359846 -0.923496
H 2.134061 3.918375 0.019817
H 2.626126 2.851690 -1.301588
H -0.992408 2.442441 -2.367297
H -1.517849 3.494300 -1.034320
H 0.410848 4.802066 -1.313755
H 0.923636 3.760784 -2.649781
H 2.407632 0.053190 2.554100
H 3.004907 1.654771 2.101575
H 5.000248 -2.723455 -0.076816
H 5.344265 -1.146205 -0.846960
H 1.784630 -1.677808 1.539612
H 2.921246 -3.038367 1.295322
H 3.304232 -1.396629 -2.339426
H 4.303949 -2.901312 -2.476902
H 0.999820 -3.359536 -0.281739
H 1.211386 -1.683901 -0.936214
H -2.391666 0.767926 -1.857816
H -2.015184 -0.458286 2.285028
H -4.684207 -0.149831 -1.935316
H -4.339878 -1.407175 2.197000
H -7.649430 -1.864716 -0.544848
H -6.299814 -1.926633 -1.743300
H -6.972327 -0.327937 -1.209352


%chk=000210669-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210669

0 1
S 4.958491 1.128090 0.082092
O 2.757872 -3.464696 -1.200992
O -5.877871 -1.560622 0.194185
N -0.748369 0.833159 0.169520
N 0.231417 0.289669 1.028464
N 3.586416 -1.215091 0.427939
C 1.087114 2.100629 -0.110028
C -0.238215 1.928210 -0.511674
C 1.730947 3.260781 -0.832440
C -0.692449 2.937585 -1.536503
C 0.482013 3.987368 -1.460728
C 1.347446 1.070556 0.842107
C 2.621319 0.761012 1.597571
C 3.696934 0.125327 0.702365
C -2.052333 0.247470 0.138683
C 4.559844 -1.928644 -0.437685
C 2.485172 -2.110661 0.875937
C 3.827021 -2.550737 -1.641193
C 1.796725 -2.740786 -0.355249
C -2.958743 0.548560 -0.903200
C -2.438985 -0.654068 1.165006
C -4.247460 -0.029628 -0.921227
C -3.715725 -1.234757 1.146336
C -4.629922 -0.925138 0.106607
C -6.856672 -1.274558 -0.856790
H 2.307562 3.930764 -0.171055
H 2.436334 2.905396 -1.607723
H -0.762565 2.487595 -2.547894
H -1.670558 3.400996 -1.312648
H 0.173354 4.813025 -0.793912
H 0.705203 4.423731 -2.449837
H 2.386136 0.119286 2.466697
H 3.056278 1.697114 1.980144
H 5.037879 -2.728210 0.161117
H 5.326117 -1.203695 -0.762777
H 1.729951 -1.559097 1.452392
H 2.923028 -2.911538 1.504333
H 3.399756 -1.746595 -2.277451
H 4.515712 -3.168229 -2.240330
H 1.053518 -3.490409 -0.038913
H 1.290907 -1.944128 -0.940632
H -2.668905 1.220690 -1.715058
H -1.727330 -0.881212 1.961571
H -4.929713 0.218574 -1.739337
H -4.031284 -1.929048 1.930699
H -7.746040 -1.863760 -0.589805
H -6.484609 -1.591239 -1.850879
H -7.116715 -0.198143 -0.883005


