%chk=000281339.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281339

0 1
S 2.861205 1.507136 -0.076643
O 3.253845 2.586075 -0.958185
O 3.568054 1.281998 1.151222
N 3.103787 0.139365 -1.144742
N 3.185477 -2.170146 -1.699494
N 2.056589 -1.387581 0.336634
N -2.976168 1.951457 0.909289
N -3.790487 1.027285 0.765607
N -6.656673 1.078062 -1.058184
N -5.998482 -0.204071 3.029934
C 1.163434 1.582038 0.192636
C 0.348548 2.268559 -0.717548
C 0.606640 0.972683 1.322017
C -1.027594 2.349044 -0.509176
C -0.772158 1.038778 1.548165
C -1.574258 1.729897 0.629448
C 2.781415 -1.174465 -0.824681
C 2.853747 -3.449487 -1.377898
C 2.127169 -3.743393 -0.200969
C 1.750221 -2.681054 0.624141
C 3.289443 -4.522215 -2.313935
C -5.218960 1.399824 1.109265
C -6.022917 1.209435 -0.104084
C -5.655964 0.493920 2.178616
H 0.792429 2.755570 -1.595976
H 1.249783 0.433022 2.033010
H 3.635994 0.267600 -2.025456
H -1.665057 2.884448 -1.212528
H -1.209371 0.557857 2.422752
H 1.873260 -4.766936 0.051350
H 1.182759 -2.843453 1.549739
H 3.966614 -5.233938 -1.817425
H 2.431013 -5.093268 -2.697967
H 3.829752 -4.118669 -3.188321
H -5.338191 2.477323 1.465888


%chk=000281339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281339

0 1
S 2.755293 1.268619 0.166286
O 3.341871 2.571590 -0.607776
O 3.317496 0.816286 1.612759
N 3.000673 -0.038626 -1.114599
N 3.495044 -2.227853 -1.740058
N 1.982540 -1.770653 0.135244
N -3.267640 2.072916 0.444395
N -3.957892 1.372919 1.288140
N -6.801536 -0.389279 0.372686
N -6.239119 2.690839 3.550216
C 0.874092 1.442893 0.261722
C 0.284708 2.385351 -0.593804
C 0.176717 0.679369 1.215621
C -1.111378 2.560780 -0.494920
C -1.213874 0.866143 1.308109
C -1.852906 1.802238 0.446096
C 2.821839 -1.400408 -0.879397
C 3.295951 -3.572106 -1.586614
C 2.451224 -4.061599 -0.551303
C 1.822558 -3.118237 0.286077
C 4.015628 -4.493421 -2.541514
C -5.442919 1.763719 1.177192
C -6.207054 0.572091 0.748882
C -5.896628 2.262311 2.492857
H 0.897326 2.966695 -1.289401
H 0.714482 -0.034314 1.844658
H 3.702004 0.238519 -1.813803
H -1.641291 3.276441 -1.130378
H -1.813003 0.303471 2.029526
H 2.297363 -5.133661 -0.406506
H 1.164563 -3.433842 1.102609
H 4.687456 -5.181113 -1.995456
H 3.297647 -5.117363 -3.105048
H 4.612310 -3.904219 -3.253743
H -5.558648 2.566204 0.417746


