%chk=000296851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296851

0 1
S -1.315404 2.127936 -0.411559
O -0.885526 2.287354 -1.780284
O -1.881401 3.272938 0.279046
N 0.710983 0.624979 0.156505
N 0.075659 1.764187 0.583444
C 2.498769 -1.026549 0.030946
C 1.926553 0.317791 0.502955
C 1.776259 -1.578531 -1.226809
C 2.378606 -2.049020 1.201315
C 2.854938 1.147613 1.359329
C 3.978771 -0.888193 -0.285395
C 4.160311 1.434258 0.604779
C 4.715776 0.194829 -0.028595
C 1.950468 -0.708810 -2.467573
C 0.951229 -2.288022 1.679028
C -2.344367 0.765060 -0.253348
C -3.455056 0.823519 0.598808
C -2.079270 -0.404380 -0.974662
C -4.037441 -1.454296 -0.000629
C -4.299700 -0.276971 0.725417
C -2.921627 -1.510923 -0.851436
C -4.949893 -2.626677 0.137583
H 0.695700 -1.689495 -1.001713
H 2.148608 -2.600461 -1.433982
H 2.999323 -1.696980 2.049168
H 2.828224 -3.010152 0.883287
H 2.389167 2.097792 1.684193
H 3.071104 0.590602 2.295957
H 4.414338 -1.769114 -0.756858
H 4.901441 1.884762 1.294321
H 3.980334 2.192459 -0.188661
H 5.773742 0.240502 -0.284260
H 1.479750 0.276921 -2.339944
H 3.006005 -0.531504 -2.701115
H 1.489422 -1.174049 -3.344972
H 0.487107 -1.366333 2.053719
H 0.307372 -2.658233 0.872291
H 0.924800 -3.024141 2.489617
H 0.618664 2.526523 1.020251
H -3.662866 1.740709 1.163804
H -1.206978 -0.454328 -1.638779
H -5.163265 -0.226244 1.385378
H -2.711161 -2.415381 -1.418160
H -4.601568 -3.510500 -0.413465
H -5.063512 -2.928017 1.189639
H -5.957390 -2.390828 -0.238777


%chk=000296851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296851

0 1
S -1.312447 1.977056 -0.666443
O -0.737068 1.791283 -2.179800
O -1.877879 3.406968 -0.130405
N 0.801581 0.468702 0.213644
N 0.059684 1.541718 0.668553
C 2.742476 -1.006542 0.060519
C 2.056489 0.269971 0.560220
C 2.099266 -1.559170 -1.253111
C 2.662979 -2.115498 1.189416
C 2.876567 1.180220 1.461778
C 4.226398 -0.725518 -0.184633
C 4.185091 1.620089 0.750093
C 4.872244 0.432957 0.103535
C 2.210913 -0.635174 -2.484755
C 1.248600 -2.643540 1.511457
C -2.571458 0.627780 -0.348297
C -3.522434 0.831633 0.664940
C -2.529635 -0.517278 -1.156690
C -4.486639 -1.364650 0.084804
C -4.482852 -0.180231 0.871775
C -3.503405 -1.515602 -0.927042
C -5.535681 -2.436132 0.319227
H 1.032384 -1.765640 -1.058236
H 2.587396 -2.532328 -1.470157
H 3.125462 -1.707599 2.109972
H 3.309932 -2.957515 0.868737
H 2.303497 2.061898 1.803716
H 3.150346 0.614635 2.374667
H 4.781291 -1.556618 -0.644601
H 4.861040 2.101378 1.483295
H 3.960087 2.390180 -0.016584
H 5.939224 0.534295 -0.136394
H 1.615032 0.283706 -2.348968
H 3.259040 -0.347639 -2.686001
H 1.823835 -1.149801 -3.384000
H 0.553300 -1.818800 1.746975
H 0.819791 -3.211728 0.667450
H 1.286508 -3.321248 2.384455
H 0.548501 2.458919 0.802496
H -3.518837 1.754442 1.253531
H -1.773923 -0.612239 -1.942620
H -5.240800 -0.048048 1.652729
H -3.497069 -2.421800 -1.543012
H -5.361499 -3.321915 -0.314308
H -5.540820 -2.767952 1.373795
H -6.549512 -2.055024 0.094081


