%chk=000239838.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239838

0 1
S -1.640932 -1.912894 -0.634021
O -0.473089 -2.243601 0.158183
O -2.680377 -2.907635 -0.828235
N -0.213537 0.505860 0.611410
N 0.631141 0.733393 -0.280728
N -1.063886 -1.533212 -2.205162
N 6.033316 -0.614629 0.540470
C -2.365621 -0.433184 -0.110988
C -1.617508 0.662033 0.339979
C -4.412065 0.843099 0.225585
C -3.763988 -0.334296 -0.158696
C -2.257899 1.859588 0.722521
C -3.643627 1.941930 0.662716
C 3.006808 1.260537 -0.511668
C 1.997373 0.419920 0.023122
C -5.900741 0.949479 0.177223
C 4.346383 0.926459 -0.302790
C 4.686681 -0.245413 0.409024
C 2.343805 -0.749790 0.737266
C 3.673587 -1.086656 0.930746
C 2.652457 2.503183 -1.256938
H -4.352821 -1.196588 -0.498802
H -1.663898 2.705189 1.066597
H -4.144116 2.865750 0.957058
H -6.223721 1.755040 -0.497852
H -6.381041 0.026154 -0.175194
H -6.319219 1.165731 1.171025
H 5.128478 1.564494 -0.703360
H 1.540291 -1.404301 1.112487
H 3.931349 -1.997415 1.464006
H 2.307870 3.288412 -0.567063
H 3.492925 2.913229 -1.830229
H 1.826824 2.326454 -1.966630
H -1.372242 -2.103792 -2.987218
H -0.083229 -1.289049 -2.323719
H 6.739618 0.086892 0.390846
H 6.274951 -1.298571 1.239327


%chk=000239838-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239838

0 1
S -1.599131 -0.543359 -2.142128
O -0.616084 -1.821519 -1.895697
O -2.831174 -0.745991 -3.188544
N -0.210424 0.482584 0.894873
N 0.600160 0.385621 -0.137412
N -0.744989 0.963178 -2.693815
N 6.112303 0.150116 1.113052
C -2.351301 0.107070 -0.513091
C -1.607605 0.483908 0.642129
C -4.502645 0.557381 0.569133
C -3.752572 0.137632 -0.558490
C -2.384194 0.883058 1.772646
C -3.786361 0.928306 1.737813
C 2.916991 -0.026496 -0.822932
C 1.977757 0.328981 0.205152
C -6.017258 0.599915 0.528223
C 4.283403 -0.087492 -0.492193
C 4.757711 0.206726 0.819905
C 2.452080 0.606902 1.525287
C 3.810798 0.560094 1.833628
C 2.471239 -0.374642 -2.229923
H -4.250454 -0.167943 -1.486886
H -1.826657 1.155341 2.674482
H -4.338293 1.249168 2.629081
H -6.392046 1.622869 0.720597
H -6.406385 0.275558 -0.450787
H -6.456416 -0.057034 1.302439
H 5.003151 -0.379318 -1.267095
H 1.711762 0.866430 2.287558
H 4.159750 0.793215 2.846812
H 2.228846 0.539516 -2.806721
H 3.275882 -0.897719 -2.774638
H 1.571685 -1.015126 -2.220826
H -0.544646 0.890891 -3.704572
H 0.081924 1.051272 -2.068502
H 6.792217 -0.099922 0.399835
H 6.451278 0.342631 2.051906


