%chk=000269582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269582

0 1
S -1.167186 -1.541683 -1.020773
O 0.029150 1.139175 -1.375632
O -1.346844 -2.874042 -0.447144
O -1.212755 -1.402869 -2.466426
O 3.144467 -2.450840 1.425445
N -5.162872 2.046603 1.462966
C 0.388284 -0.972527 -0.447022
C 2.176281 0.723763 -0.273183
C 0.870122 0.288932 -0.703486
C 2.977725 -0.191820 0.451345
C -2.324804 -0.493515 -0.300343
C 1.189657 -1.887396 0.280162
C 2.440372 -1.500878 0.715210
C 2.684150 2.028568 -0.551173
C 4.275925 0.213910 0.887925
C -2.705037 0.691221 -0.944084
C -2.926603 -0.846460 0.915469
C 3.935364 2.396212 -0.121655
C 4.741653 1.475069 0.608305
C -3.660156 1.532187 -0.384680
C -3.882738 -0.026251 1.501228
C -4.253001 1.177687 0.851848
H 0.815221 -2.899597 0.492260
H 2.057706 2.724631 -1.112034
H 4.885657 -0.498872 1.445062
H -2.242911 0.956367 -1.904550
H -2.647286 -1.788255 1.405617
H 4.330632 3.389838 -0.330478
H 5.731860 1.791455 0.937675
H -3.944933 2.448938 -0.889935
H -4.337437 -0.305435 2.446360
H 0.469138 1.996899 -1.619199
H 4.046366 -2.127037 1.674093
H -5.738692 1.699912 2.212619
H -5.590576 2.771211 0.910408


%chk=000269582-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269582

0 1
S -1.141233 -1.114961 -1.358605
O 0.971670 1.031612 -2.390445
O -1.362564 -2.726479 -1.233255
O -1.157668 -0.338376 -2.841749
O 2.498592 -1.804956 2.267473
N -5.501713 1.486318 1.945336
C 0.525810 -0.648861 -0.630022
C 2.557630 0.692180 -0.596860
C 1.303887 0.355002 -1.235472
C 2.972691 0.004487 0.605513
C -2.467423 -0.296056 -0.329400
C 0.937303 -1.380512 0.515037
C 2.145694 -1.061604 1.125252
C 3.389750 1.713220 -1.150956
C 4.202290 0.400648 1.225179
C -2.807073 1.043348 -0.593008
C -3.122685 -1.072044 0.643995
C 4.593548 2.063780 -0.532925
C 4.998310 1.406619 0.668324
C -3.823057 1.639119 0.172590
C -4.138693 -0.472152 1.406699
C -4.499654 0.893701 1.188364
H 0.334023 -2.207756 0.900299
H 3.052998 2.206451 -2.066905
H 4.530952 -0.067190 2.162610
H -2.306373 1.599434 -1.391887
H -2.854547 -2.125109 0.778962
H 5.225611 2.846986 -0.964106
H 5.933662 1.697182 1.158541
H -4.104347 2.681388 -0.016216
H -4.662344 -1.058082 2.170536
H 0.124062 0.591416 -2.798070
H 3.460851 -1.709714 2.472914
H -5.993585 0.962082 2.663456
H -5.770476 2.453982 1.791002


