%chk=000269586.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269586

0 1
S -4.493583 -0.817931 -0.612513
O -5.347968 -1.234173 0.478269
O -4.984518 0.005936 -1.693575
O 5.085835 -0.340809 -1.780046
N 1.677469 1.494599 0.836478
N 1.684187 -1.014824 0.469015
N 3.548410 1.978128 -0.394132
N 3.515908 -1.775683 -0.903488
N -3.910964 -2.265239 -1.334599
C 0.496545 1.686612 1.691668
C -0.745834 1.057171 1.101118
C 2.161466 0.288100 0.325329
C 3.323050 0.601926 -0.431075
C 2.573965 2.508931 0.350675
C -1.527202 0.203276 1.893773
C -1.125444 1.336833 -0.218302
C -3.057832 -0.097677 0.042375
C -2.687019 -0.367380 1.362454
C -2.283887 0.758087 -0.745629
C 4.094812 -0.450434 -1.112193
C 2.449855 -2.018680 -0.212229
H 0.322200 2.783892 1.834704
H 0.714057 1.279144 2.711056
H 2.439196 3.551653 0.592271
H -1.249719 -0.005675 2.926327
H -0.520014 2.002134 -0.837268
H -3.309670 -1.019321 1.988241
H -2.586137 0.988797 -1.775050
H 0.816188 -1.208787 0.954846
H 2.056774 -3.041410 -0.092012
H -4.224585 -3.153679 -0.947454
H -3.913743 -2.330618 -2.351333


%chk=000269586-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269586

0 1
S -4.653423 -0.809162 -0.659310
O -5.669791 -1.058374 0.587546
O -5.029553 0.061406 -1.981603
O 5.309857 -0.127778 -1.722184
N 1.722694 1.486235 0.836044
N 1.795844 -0.978379 0.347566
N 3.642648 2.075810 -0.271282
N 3.701896 -1.684890 -0.965669
N -4.123062 -2.475289 -1.233650
C 0.540121 1.610613 1.705538
C -0.719990 0.989838 1.105522
C 2.257134 0.325751 0.288016
C 3.438959 0.685857 -0.392537
C 2.616705 2.521266 0.459623
C -1.597843 0.245673 1.932583
C -1.042657 1.190050 -0.261600
C -3.059547 -0.092800 0.048998
C -2.788635 -0.305111 1.408083
C -2.225847 0.647134 -0.804608
C 4.249721 -0.332213 -1.082130
C 2.589268 -1.934334 -0.318249
H 0.384382 2.692929 1.871643
H 0.751001 1.159834 2.694488
H 2.446377 3.554312 0.756695
H -1.361036 0.100742 2.993303
H -0.368810 1.768944 -0.902773
H -3.492854 -0.861780 2.034532
H -2.506075 0.809832 -1.850235
H 0.901477 -1.235467 0.770613
H 2.204830 -2.960707 -0.264155
H -4.706675 -3.178613 -0.750345
H -4.215319 -2.508430 -2.262764


