%chk=000283958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283958

0 1
S -0.767416 0.859806 0.265034
O -1.048690 0.950586 1.688204
O -1.225617 1.970170 -0.552355
O -1.592547 -0.940968 -1.505965
N -2.040820 -2.007177 1.517408
N -2.756729 -2.739816 2.430054
C 0.855186 0.432421 -0.054600
C 1.676577 -0.126491 0.951112
C 1.402172 0.650405 -1.343079
C 3.569831 -0.149814 -0.579017
C 3.024003 -0.404643 0.685386
C 2.750016 0.368318 -1.591766
C 1.148861 -0.457885 2.302228
C 0.568185 1.153764 -2.467325
C -1.703863 -0.596755 -0.359144
C 5.005680 -0.439704 -0.861685
C -2.621938 -1.249246 0.633644
C -4.067912 -0.909425 0.482711
H 3.650166 -0.825979 1.468282
H 3.165047 0.547676 -2.580940
H 0.689462 0.418919 2.804036
H 0.343453 -1.212825 2.256805
H 1.913169 -0.848725 2.984584
H 1.133440 1.311096 -3.394079
H -0.252766 0.452882 -2.713200
H 0.073755 2.119710 -2.231996
H 5.573695 -0.718281 0.036036
H 5.105739 -1.270796 -1.577257
H 5.513346 0.428589 -1.307876
H -4.405699 -0.236709 1.285965
H -4.285182 -0.404084 -0.470890
H -4.696644 -1.812977 0.501310
H -2.146034 -3.011965 3.204085
H -3.629125 -2.342877 2.781593


%chk=000283958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000283958

0 1
S -0.821105 1.536013 0.605849
O -1.131376 1.589086 2.215940
O -0.817677 2.959200 -0.205912
O -3.101837 1.051855 -1.099025
N -1.608705 -1.326961 1.051990
N -1.674467 -2.545383 1.606679
C 0.851172 0.645131 0.227715
C 1.674658 0.190800 1.288314
C 1.193135 0.513996 -1.145753
C 3.300205 -0.577960 -0.429190
C 2.902809 -0.420917 0.917126
C 2.431922 -0.105510 -1.442151
C 1.353003 0.321809 2.766107
C 0.313286 0.987606 -2.291207
C -2.421171 0.429544 -0.281686
C 4.623625 -1.232078 -0.785147
C -2.606403 -0.902951 0.271753
C -3.857348 -1.691709 -0.061414
H 3.566239 -0.771799 1.717421
H 2.720391 -0.212017 -2.495484
H 1.267281 1.377669 3.074018
H 0.375531 -0.125220 3.013912
H 2.145879 -0.158589 3.365019
H 0.856058 0.907349 -3.247521
H -0.605119 0.376443 -2.383701
H -0.014636 2.030450 -2.142876
H 5.211288 -1.474881 0.116425
H 4.468019 -2.170727 -1.350160
H 5.238812 -0.569468 -1.421654
H -4.457282 -1.896201 0.847803
H -4.489026 -1.119662 -0.757977
H -3.613523 -2.660154 -0.542608
H -0.887815 -2.808342 2.195355
H -2.465022 -3.189221 1.489342


