%chk=000253664.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253664

0 1
S 2.196429 1.064025 1.344685
O 5.069723 -2.603643 -0.903715
N -2.651161 1.687217 0.393183
N -0.831237 2.231506 1.695572
N -1.526467 0.038533 -1.133090
N 0.844663 -0.231273 -0.594752
N 3.177043 -2.222158 0.392985
N 3.083540 -3.585854 -1.576791
C -4.048212 1.632992 -0.078332
C -4.909146 0.763534 0.850348
C -6.366785 0.736015 0.372465
C -1.581924 0.933490 -0.090462
C -0.441213 1.292687 0.732490
C -2.138580 2.448078 1.488638
C -7.236173 -0.121273 1.288040
C 0.783009 0.661165 0.413229
C 3.601966 0.258771 0.533743
C 3.874933 -1.126607 1.114079
C -0.302638 -0.497566 -1.327868
C 3.874409 -2.784401 -0.717289
C 3.801408 -4.484577 -2.510514
H -4.056902 1.218574 -1.117453
H -4.446995 2.671266 -0.137502
H -4.502750 -0.268502 0.884840
H -4.857031 1.137160 1.891475
H -6.773931 1.765628 0.329040
H -6.418128 0.343513 -0.663297
H -2.766108 3.122523 2.056996
H -7.243063 0.257823 2.316618
H -6.886155 -1.159958 1.324802
H -8.276177 -0.141122 0.940812
H 4.468833 0.933798 0.697074
H 3.462963 0.215595 -0.568766
H 3.568726 -1.195578 2.184387
H 4.977819 -1.329118 1.087208
H -0.186371 -1.222196 -2.151058
H 2.171525 -2.050463 0.276324
H 2.201833 -3.957814 -1.231916
H 4.786840 -4.050057 -2.776932
H 3.981888 -5.485228 -2.087673
H 3.212499 -4.580904 -3.437322


%chk=000253664-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253664

0 1
S 2.443986 1.078347 1.590484
O 4.490051 -3.491808 -0.214395
N -2.496366 1.723529 0.809581
N -0.693618 1.985470 2.220557
N -1.352822 0.662257 -1.113669
N 1.040572 0.348714 -0.694345
N 3.276154 -1.506405 -0.429078
N 2.365012 -3.522247 -1.214782
C -3.890599 1.709380 0.322257
C -4.629157 0.399759 0.678610
C -6.081947 0.395661 0.151130
C -1.392444 1.203253 0.135995
C -0.280471 1.374026 1.025114
C -2.016730 2.169461 2.050832
C -6.827363 -0.910948 0.497589
C 0.976592 0.914139 0.551015
C 3.870819 0.742724 0.365979
C 4.301509 -0.722721 0.258520
C -0.099805 0.262557 -1.458438
C 3.440888 -2.874768 -0.593733
C 2.393870 -4.960921 -1.476868
H -3.855876 1.837242 -0.774314
H -4.413604 2.582514 0.753912
H -4.073282 -0.454034 0.246042
H -4.630267 0.262601 1.778299
H -6.633458 1.259929 0.574791
H -6.073434 0.536471 -0.948616
H -2.674782 2.626012 2.787905
H -6.875607 -1.063793 1.591903
H -6.316143 -1.787340 0.057881
H -7.862875 -0.895729 0.112597
H 4.688476 1.359799 0.772861
H 3.554190 1.150933 -0.608500
H 4.515189 -1.146949 1.258618
H 5.259801 -0.758656 -0.302793
H 0.020419 -0.179090 -2.451935
H 2.432072 -0.991449 -0.736804
H 1.531344 -2.987940 -1.459441
H 3.369832 -5.332576 -1.123483
H 1.594002 -5.497131 -0.929759
H 2.298773 -5.184674 -2.557219


