%chk=000227487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227487

0 1
S 2.993121 -1.513385 0.376376
N -1.995278 -1.504816 0.331715
N -1.857794 1.694429 0.047057
N 0.384601 -1.334648 0.252370
N 1.606522 0.790115 0.182762
N -1.319891 2.933367 0.004273
C -0.864295 0.707868 0.111995
C -0.830545 -0.724829 0.190479
C 0.391432 1.423871 0.109108
C -3.181254 -1.075949 -0.457451
C -1.807310 -2.980356 0.381122
C 0.031834 2.816454 0.031729
C 1.524612 -0.550609 0.263281
C 4.307918 -0.282228 0.351728
H -2.854978 1.554821 0.087916
H -2.927373 -0.674704 -1.452513
H -3.735702 -0.312747 0.115991
H -3.876296 -1.919015 -0.613870
H -1.010498 -3.226260 1.112739
H -1.504031 -3.416330 -0.584468
H -2.738194 -3.454220 0.727591
H 0.704585 3.659170 0.001016
H 4.227056 0.420038 1.192987
H 4.292267 0.315746 -0.569914
H 5.266091 -0.811282 0.418582


%chk=000227487-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227487

0 1
S 3.061917 -1.563614 0.518603
N -1.926937 -1.577869 0.017963
N -1.810212 1.660407 -0.196688
N 0.411376 -1.352798 0.235816
N 1.632041 0.766191 0.221531
N -1.269631 2.941874 -0.229193
C -0.839515 0.674194 -0.025904
C -0.807877 -0.764625 0.074291
C 0.408667 1.380983 0.054762
C -3.277724 -1.022220 -0.142786
C -1.793954 -3.043506 0.111056
C 0.072199 2.769653 -0.076202
C 1.542596 -0.578923 0.300180
C 4.344531 -0.190198 0.558384
H -2.816043 1.567782 -0.298515
H -3.399756 -0.498346 -1.112318
H -3.542993 -0.337015 0.686727
H -4.003637 -1.849701 -0.125582
H -0.727372 -3.283447 0.227880
H -2.180135 -3.528149 -0.805969
H -2.353666 -3.430160 0.983935
H 0.735220 3.631177 -0.066373
H 4.140107 0.484948 1.400858
H 4.312714 0.374648 -0.383523
H 5.314683 -0.696786 0.683667


