%chk=000243475.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243475

0 1
S -3.003075 0.943666 0.323988
O 4.015986 0.521774 1.057309
O 5.307541 0.943604 -1.755374
O 4.012759 -2.208724 -0.943164
O 4.412294 -3.047137 1.514660
N 2.060764 0.678473 -0.260065
N 0.075575 -0.492553 -0.302150
N 1.156789 2.931989 0.314751
N -1.319217 2.899669 0.553171
N -0.077289 4.902385 0.746496
N -6.061316 -2.335707 1.213851
C 4.248455 0.104846 -1.299850
C 3.509465 0.941739 -0.218220
C 4.829994 -1.112119 -0.531642
C 4.679741 -0.767052 0.973166
C 3.828749 -1.752160 1.785397
C 1.048787 1.601047 0.051288
C 1.393048 -0.588518 -0.449209
C -0.194549 0.855767 0.012039
C -1.372013 1.580789 0.282846
C -0.069769 3.536902 0.544516
C -2.843869 -0.826877 -0.076589
C -4.247336 -1.316012 -0.043904
C -5.070548 -1.242205 -1.178852
C -4.790547 -1.869829 1.137054
C -6.381762 -1.717212 -1.107872
C -6.841636 -2.257709 0.104256
H 3.604401 -0.214045 -2.147540
H 3.714030 2.044386 -0.254588
H 5.884381 -1.323310 -0.805940
H 5.667148 -0.589885 1.455513
H 2.771702 -1.755853 1.462185
H 3.885785 -1.535198 2.866491
H 5.568939 0.697649 -2.670104
H 4.210976 -3.015142 -0.380035
H 1.963763 -1.482976 -0.704778
H 4.004609 -3.725626 2.090750
H -2.182850 -1.342754 0.651075
H -2.355596 -0.970447 -1.063818
H 0.795277 5.384747 0.900249
H -0.926992 5.349623 1.058592
H -4.690205 -0.814693 -2.107382
H -4.194962 -1.944239 2.055222
H -7.037285 -1.668551 -1.974153
H -7.862243 -2.643320 0.206963


%chk=000243475-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243475

0 1
S -3.169323 1.102501 0.374441
O 3.986142 0.450605 1.109913
O 5.201442 1.030504 -1.710757
O 3.879682 -2.279902 -0.753614
O 5.158427 -3.037814 1.480406
N 1.935532 0.574342 -0.183464
N -0.075266 -0.534217 -0.178370
N 1.155867 2.868210 0.270888
N -1.289183 2.985670 0.513527
N 0.048646 4.893442 0.712976
N -6.329486 -2.543381 0.990827
C 4.165391 0.086968 -1.275956
C 3.375598 0.838899 -0.178256
C 4.785932 -1.144109 -0.568105
C 4.914258 -0.692913 0.916638
C 4.511253 -1.777947 1.929680
C 0.959205 1.545725 0.071954
C 1.250814 -0.656322 -0.317462
C -0.291305 0.844687 0.067537
C -1.436466 1.652457 0.303543
C -0.025574 3.537762 0.491531
C -3.089303 -0.779128 -0.014845
C -4.503599 -1.293255 -0.086585
C -5.328246 -1.062772 -1.218366
C -5.061428 -2.038231 0.985640
C -6.642637 -1.576139 -1.233555
C -7.100589 -2.306563 -0.111776
H 3.521691 -0.236314 -2.115216
H 3.496003 1.929524 -0.286076
H 5.782409 -1.382779 -0.988777
H 5.939252 -0.328865 1.111682
H 3.410413 -1.885696 1.926786
H 4.853584 -1.503205 2.943558
H 5.707315 0.636263 -2.465245
H 4.233566 -3.007473 -0.161628
H 1.794157 -1.577664 -0.524060
H 5.126887 -3.716637 2.197493
H -2.504018 -1.260803 0.780668
H -2.543140 -0.890055 -0.962216
H 0.956958 5.348326 0.718133
H -0.808966 5.410702 0.883155
H -4.942513 -0.487327 -2.067622
H -4.463478 -2.241885 1.882814
H -7.302543 -1.416446 -2.092160
H -8.115463 -2.719544 -0.083079


