%chk=000229517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229517

0 1
O 3.360941 1.978601 0.146907
O -3.497533 0.816383 0.922556
N -3.769744 1.392801 -1.247573
N -5.096538 1.861703 -1.063357
C -0.881089 -0.253534 0.597514
C -1.493404 -1.632101 0.900768
C -1.096868 -2.666565 -0.154281
C 0.595546 -0.350586 0.266144
C 0.424502 -2.858453 -0.179102
C 1.193121 -1.565584 -0.132817
C -1.606217 0.446800 -0.575780
C 1.368439 0.810682 0.350844
C 2.557377 -1.587863 -0.456033
C 2.734542 0.755103 0.022165
C -3.000556 0.875579 -0.190795
C 3.344387 -0.435576 -0.388262
C 4.778229 2.042186 -0.138002
H -1.009674 0.383541 1.514210
H -2.595657 -1.544133 0.974855
H -1.156205 -1.965849 1.902209
H -1.453539 -2.346994 -1.152546
H -1.595160 -3.632426 0.051909
H 0.707864 -3.440537 -1.079188
H 0.732690 -3.478280 0.691087
H -1.019453 1.333190 -0.901532
H -1.626605 -0.235131 -1.452092
H 0.941436 1.757895 0.673515
H 3.022379 -2.523862 -0.766879
H 4.395963 -0.479860 -0.645680
H -3.447625 1.500579 -2.207372
H 4.968034 1.783501 -1.183397
H 5.334138 1.398545 0.549659
H 4.997910 3.101045 0.051340
H -5.676961 1.099846 -0.681618
H -5.103571 2.594852 -0.338177


%chk=000229517-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229517

0 1
O 3.545258 1.977526 0.233803
O -3.253342 1.663868 0.942553
N -3.974072 0.889372 -1.122737
N -5.332746 1.263344 -0.934583
C -0.878967 -0.135542 0.555504
C -1.568087 -1.505782 0.778871
C -1.174833 -2.528992 -0.309304
C 0.615797 -0.288217 0.251075
C 0.342370 -2.806964 -0.246972
C 1.178443 -1.531902 -0.164940
C -1.575292 0.684411 -0.577351
C 1.450596 0.846576 0.366774
C 2.560868 -1.580416 -0.463477
C 2.830081 0.776562 0.071198
C -2.984041 1.120271 -0.171489
C 3.398189 -0.449252 -0.355596
C 4.981743 1.947903 -0.043947
H -0.996284 0.471134 1.474736
H -2.665425 -1.368765 0.815277
H -1.266410 -1.905102 1.767673
H -1.445957 -2.142152 -1.312054
H -1.735785 -3.472215 -0.169446
H 0.662089 -3.410544 -1.118636
H 0.548995 -3.428717 0.649966
H -0.986344 1.601673 -0.766856
H -1.585627 0.109787 -1.523570
H 1.042673 1.807629 0.701624
H 2.999020 -2.533005 -0.788337
H 4.461751 -0.533091 -0.597974
H -3.759931 0.447129 -2.017735
H 5.184713 1.682234 -1.100247
H 5.508402 1.236974 0.622807
H 5.334028 2.971057 0.154043
H -5.724496 0.775855 -0.115712
H -5.406277 2.282850 -0.803739


