%chk=000191944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191944

0 1
S 0.874737 -3.055729 0.325169
O 0.213098 1.102246 -0.432432
O 4.073356 1.247348 1.167342
O -3.301453 0.561740 -2.078773
N -2.051721 0.496061 -0.151873
N 2.915830 1.362303 -0.802448
N 5.562103 -0.990198 0.279864
N -3.983136 -0.975118 -0.471897
N -4.568929 -2.500841 1.185093
C 0.890542 2.101395 0.410813
C -1.147509 1.538619 -0.702651
C 2.143922 2.546357 -0.366537
C -0.134570 3.191578 0.616009
C -1.278800 2.877311 0.001677
C 4.213437 -0.710592 -0.268544
C 3.728481 0.701649 0.132466
C 3.218411 -1.753618 0.290821
C -1.815441 -0.061052 1.094913
C 1.885343 -1.742271 -0.439819
C -3.187702 0.020348 -1.003114
C -2.639164 -1.042097 1.584150
C -3.733414 -1.491960 0.760433
C -0.571958 -3.094564 -0.755289
H 1.157847 1.564427 1.347746
H -1.261506 1.577303 -1.815966
H 2.782324 3.191692 0.285308
H 1.869560 3.142396 -1.264582
H 0.100342 4.071957 1.193207
H -2.204449 3.429822 -0.044314
H 4.276335 -0.805187 -1.384843
H 2.458402 0.824241 -1.541348
H 3.697939 -2.758191 0.208065
H 3.075717 -1.589376 1.380239
H -0.948650 0.303869 1.663834
H 1.350156 -0.775043 -0.338870
H 2.008139 -1.942038 -1.519279
H 6.243402 -0.328729 -0.085436
H 5.568214 -0.889264 1.295021
H -2.455419 -1.488899 2.555009
H -0.320342 -3.443473 -1.762678
H -1.056897 -2.115234 -0.834492
H -1.296891 -3.797892 -0.323877
H -5.355495 -2.782200 0.615465
H -4.500992 -2.880894 2.111217


%chk=000191944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191944

0 1
S 1.268898 -3.482735 0.248994
O 0.073193 1.073890 -0.434238
O 3.995317 1.125111 1.259638
O -3.193919 0.433765 -2.272066
N -2.289427 0.614501 -0.103710
N 2.921379 1.290082 -0.793262
N 5.799619 -0.814496 0.091382
N -4.059326 -0.977960 -0.604512
N -4.897842 -2.353737 1.062018
C 0.872291 2.005262 0.421329
C -1.303522 1.605730 -0.598923
C 2.117890 2.449550 -0.385581
C -0.091300 3.120837 0.759705
C -1.296697 2.910631 0.174944
C 4.408624 -0.675690 -0.379349
C 3.764834 0.653035 0.100150
C 3.570202 -1.878953 0.145313
C -2.267186 0.200753 1.211054
C 2.153191 -1.956915 -0.449339
C -3.217149 0.013297 -1.081720
C -3.121340 -0.780962 1.667403
C -4.023145 -1.360055 0.690313
C -0.405644 -3.227009 -0.573701
H 1.222389 1.451315 1.315409
H -1.535706 1.707580 -1.674545
H 2.745338 3.099281 0.250273
H 1.799183 3.007202 -1.282875
H 0.187311 3.972170 1.385576
H -2.177133 3.554529 0.223965
H 4.417232 -0.708445 -1.487531
H 2.656695 0.810431 -1.655632
H 4.140621 -2.791646 -0.104999
H 3.513296 -1.815346 1.249953
H -1.535426 0.687045 1.862918
H 1.536967 -1.076440 -0.199574
H 2.192102 -2.066687 -1.549888
H 6.445418 -0.168518 -0.379737
H 5.853525 -0.683330 1.111136
H -3.094998 -1.108027 2.708310
H -0.306343 -3.261246 -1.670347
H -0.840256 -2.263300 -0.263803
H -1.054032 -4.051686 -0.238517
H -5.512986 -2.736512 0.345277
H -4.938939 -2.708100 2.013590


