%chk=000250366.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250366

0 1
S 1.357025 1.561323 0.000184
O -3.419406 1.342170 -0.000946
N -1.063194 -0.114140 -0.000107
N -2.287370 -0.725719 -0.000168
N -4.653110 -0.579629 0.000341
C 2.562671 -0.711895 -0.000168
C 1.293172 -0.180624 0.000018
C 3.586124 0.310205 -0.000152
C 2.888700 -2.160369 -0.000375
C 3.088950 1.579293 0.000040
C 0.014780 -0.856860 0.000069
C -3.439387 0.132541 -0.000606
H 4.637258 0.058971 -0.000294
H 2.478834 -2.663509 -0.888418
H 3.972282 -2.343701 -0.000330
H 2.478709 -2.663809 0.887439
H 3.638669 2.505360 0.000104
H 0.056573 -1.956120 0.000059
H -2.385221 -1.744217 -0.000115
H -5.512185 -0.049154 0.000771
H -4.737973 -1.575713 0.001555


%chk=000250366-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250366

0 1
S 1.486619 1.758709 0.000051
O -3.609956 1.334370 -0.000407
N -1.096236 0.049752 0.000252
N -2.291719 -0.634481 0.000386
N -4.627993 -0.765785 0.000169
C 2.565722 -0.686791 -0.000207
C 1.316002 -0.046565 -0.000031
C 3.661483 0.250844 -0.000275
C 2.758372 -2.190643 -0.000328
C 3.268278 1.580560 -0.000151
C 0.013147 -0.668455 0.000069
C -3.516983 0.082816 0.000402
H 4.709211 -0.061285 -0.000408
H 2.307951 -2.664785 -0.892670
H 3.832293 -2.441972 -0.000272
H 2.307818 -2.664953 0.891856
H 3.888890 2.474891 -0.000166
H 0.006942 -1.777681 -0.000001
H -2.303655 -1.666187 0.000234
H -5.539387 -0.315435 -0.000412
H -4.580896 -1.782520 0.000808


