%chk=000257112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257112

0 1
S 0.050075 -0.291472 1.125057
O -0.400645 1.069050 -1.625002
O -1.821758 2.209604 -0.312554
O 1.754442 2.030840 -0.853051
N 2.616478 1.671308 1.204709
C -1.452129 -0.211864 0.055221
C -2.619971 -0.226566 1.047634
C -1.466436 -1.334080 -0.981425
C 1.480631 -0.204223 0.001057
C -1.306342 1.159152 -0.599064
C 2.502915 -1.248446 0.434302
C -3.971161 -0.053217 0.358218
C -1.524931 -2.733856 -0.383497
C 1.942821 1.243441 0.067201
C 3.760401 -1.188846 -0.429841
H -2.494895 0.591209 1.794005
H -2.612888 -1.175212 1.624114
H -0.575524 -1.243490 -1.645014
H -2.336847 -1.181989 -1.657984
H 1.153546 -0.403602 -1.060881
H 2.047926 -2.260333 0.358491
H 2.777485 -1.129968 1.502013
H -4.028048 0.908923 -0.172025
H -4.173847 -0.849956 -0.365480
H -4.786051 -0.060555 1.092342
H -1.492116 -3.495311 -1.172368
H -2.447293 -2.896763 0.187438
H -0.683714 -2.929654 0.293518
H 3.533293 -1.333812 -1.493347
H 4.274382 -0.223087 -0.339217
H 4.476121 -1.967227 -0.140235
H -0.001215 1.956074 -1.897038
H 2.832621 2.653707 1.303768
H 2.664174 1.122521 2.045034


%chk=000257112-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257112

0 1
S 0.190365 -0.831165 1.088163
O -0.472460 0.922865 -1.803550
O -1.287496 2.136827 -0.000566
O 2.321376 1.769636 -1.075315
N 1.930782 1.769720 1.217342
C -1.404680 -0.345547 0.042374
C -2.520582 -0.216823 1.109986
C -1.658707 -1.425330 -1.039929
C 1.671432 -0.354311 -0.035004
C -1.083070 1.031583 -0.551185
C 2.883175 -1.199886 0.444178
C -3.910628 0.096947 0.510050
C -2.016408 -2.819121 -0.487390
C 1.981811 1.155531 -0.014037
C 4.156189 -0.944682 -0.394270
H -2.237574 0.589672 1.808877
H -2.566494 -1.156346 1.691848
H -0.768408 -1.494321 -1.688747
H -2.475692 -1.062020 -1.696073
H 1.407567 -0.617084 -1.071551
H 2.598826 -2.266955 0.378901
H 3.088296 -0.983700 1.510883
H -3.894034 1.043725 -0.058386
H -4.267525 -0.707001 -0.158303
H -4.650798 0.209328 1.322386
H -2.104638 -3.541867 -1.318550
H -2.978062 -2.818187 0.056615
H -1.231588 -3.182615 0.199909
H 3.976256 -1.152603 -1.464369
H 4.495905 0.102212 -0.313161
H 4.974848 -1.600898 -0.047686
H -0.057120 1.790432 -2.064392
H 2.116233 2.771267 1.269000
H 1.464402 1.303019 1.998051


