%chk=000227833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227833

0 1
S 0.977039 2.551602 0.414101
O 1.276664 3.784130 1.099608
O 0.762882 2.523547 -1.010641
O -4.405000 0.334252 -0.206425
O -1.307397 -2.927880 -1.284442
N -1.242403 -1.215992 0.336643
N -3.114209 -1.446956 -0.970639
N 2.303964 1.532449 0.827816
C -2.094085 -0.027286 0.638985
C -1.460954 1.314145 0.245255
C -0.376237 1.752174 1.224143
C -3.378618 -0.289966 -0.194437
C -1.798300 -1.981395 -0.723410
C 2.504826 0.210026 0.345808
C 3.435665 -0.613416 1.017089
C 1.764368 -0.296488 -0.737744
C 3.592114 -1.938580 0.614469
C 1.932711 -1.631682 -1.116951
C 2.833245 -2.457980 -0.441185
H -2.355592 -0.046132 1.730317
H -2.262541 2.088560 0.199814
H -1.075089 1.256657 -0.802117
H -0.816719 2.429266 1.992195
H -0.027651 0.893644 1.839280
H -0.227493 -1.132495 0.419171
H -3.777354 -1.881751 -1.607299
H 3.084781 1.929711 1.369373
H 4.027920 -0.221999 1.839837
H 1.120155 0.350925 -1.337684
H 4.310696 -2.576767 1.130418
H 1.351011 -2.030684 -1.952128
H 2.950600 -3.497538 -0.740221


%chk=000227833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227833

0 1
S 0.982218 2.568031 0.297910
O 1.278937 3.981283 1.036445
O 0.590519 2.524680 -1.279623
O -4.584866 0.428184 0.076599
O -1.650024 -2.745989 -1.825174
N -1.391868 -1.173223 -0.054528
N -3.389525 -1.278012 -1.072758
N 2.478396 1.610675 0.644240
C -2.193491 -0.124968 0.594940
C -1.626540 1.313235 0.440681
C -0.378180 1.529195 1.297909
C -3.559249 -0.257916 -0.135278
C -2.070013 -1.843009 -1.065642
C 2.664665 0.243332 0.332132
C 3.635710 -0.496623 1.064385
C 1.894023 -0.409536 -0.670782
C 3.826820 -1.867249 0.792120
C 2.073558 -1.793157 -0.904284
C 3.038016 -2.529342 -0.178442
H -2.358913 -0.348820 1.667604
H -2.420955 2.030095 0.711549
H -1.379379 1.481359 -0.627022
H -0.513270 2.162705 2.187968
H 0.175641 0.610068 1.547457
H -0.398063 -1.344414 0.108618
H -4.108834 -1.594009 -1.723708
H 3.216636 2.192617 1.050491
H 4.228056 0.000119 1.841702
H 1.213308 0.172840 -1.301451
H 4.585164 -2.423034 1.354790
H 1.470440 -2.286328 -1.675812
H 3.180062 -3.596688 -0.374036


