%chk=000258607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258607

0 1
O 0.171950 0.318899 -0.952122
O -1.398932 1.192146 2.894902
N 2.021658 0.285839 0.383693
N -2.042023 0.384693 0.851513
C 4.086430 0.126646 -1.013921
C -4.523240 0.477221 0.607009
C 2.803287 -0.571120 -0.543448
C -3.332842 -0.161173 1.336917
C 5.182798 0.144293 0.059146
C -4.686446 -0.040590 -0.827938
C 0.076550 1.631964 1.058663
C 0.737246 0.699342 0.066378
C -1.180529 1.052145 1.701349
C 6.458732 0.807679 -0.453302
C -5.911435 0.565912 -1.508200
H 4.460989 -0.390780 -1.920543
H 3.859513 1.160148 -1.343633
H -5.446472 0.274135 1.185673
H -4.417194 1.580405 0.601778
H 2.162596 -0.827725 -1.424349
H 3.036124 -1.530298 -0.028649
H -3.327454 -1.265493 1.196560
H -3.416055 0.023874 2.436702
H 4.825489 0.676642 0.961601
H 5.406630 -0.890607 0.386619
H -3.779606 0.191652 -1.420892
H -4.769667 -1.145314 -0.824120
H 2.503531 0.614716 1.212731
H -1.832598 0.277631 -0.146909
H 0.751267 1.957058 1.879902
H -0.198001 2.574198 0.529758
H 6.282969 1.846345 -0.756495
H 7.236749 0.819894 0.318904
H 6.869941 0.279553 -1.321570
H -5.845491 1.658863 -1.559993
H -6.016824 0.196211 -2.534678
H -6.836039 0.318498 -0.974440


%chk=000258607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258607

0 1
O 0.167073 -0.365515 -0.665641
O -1.708233 1.416410 2.806040
N 2.093731 0.078572 0.560592
N -2.072099 0.087938 0.913661
C 4.099580 -0.179904 -0.946304
C -4.553075 0.435243 0.619074
C 2.948852 -0.870117 -0.178778
C -3.418215 -0.359181 1.309096
C 5.115818 0.552175 -0.039231
C -4.588477 0.269410 -0.916870
C 0.050801 1.342628 1.104024
C 0.763695 0.281408 0.262815
C -1.326009 0.935990 1.693267
C 6.291785 1.158351 -0.835158
C -5.743772 1.055285 -1.573770
H 4.632376 -0.958604 -1.528984
H 3.671622 0.530558 -1.680554
H -5.519200 0.095988 1.046745
H -4.447657 1.506347 0.881025
H 2.281230 -1.403449 -0.876743
H 3.363693 -1.611334 0.533593
H -3.513302 -1.435984 1.068160
H -3.493486 -0.239002 2.404266
H 4.604662 1.363209 0.519953
H 5.507828 -0.157989 0.718228
H -3.623618 0.606562 -1.345694
H -4.683852 -0.807997 -1.166009
H 2.509745 0.615289 1.323215
H -1.626813 -0.255225 0.047384
H 0.662251 1.685107 1.955403
H -0.126609 2.222169 0.453601
H 5.930153 1.890681 -1.580950
H 7.005634 1.677149 -0.169933
H 6.847015 0.371780 -1.379801
H -5.653771 2.138090 -1.365738
H -5.751888 0.921071 -2.671106
H -6.723864 0.720393 -1.184281


