%chk=000251554.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251554

0 1
O -1.824234 1.079573 0.952583
O 1.824883 -0.946363 1.076203
N -3.266233 -0.485462 -0.062814
N 3.261613 0.473281 -0.140419
N -3.122664 -1.625810 -0.857141
N 3.113969 1.500936 -1.075344
C -0.004937 -0.082187 -1.267155
C -0.951429 -0.849303 -0.343597
C 0.945419 0.798173 -0.455318
C -1.842219 -1.863747 -1.053909
C 1.832544 1.711624 -1.295407
C -1.994763 0.081744 0.298915
C 1.992023 -0.041860 0.297777
C -1.316214 -2.995706 -1.841169
C 1.302459 2.731830 -2.220601
C -4.587172 -0.028815 0.283791
C 4.584301 0.065144 0.256371
C -4.723748 1.101079 1.110325
C 4.725109 -0.947947 1.221923
C -5.722816 -0.705812 -0.200206
C 5.717453 0.673293 -0.316684
C -6.003969 1.545930 1.445928
C 6.007030 -1.345812 1.606464
C -6.991041 -0.241897 0.149509
C 6.987448 0.258361 0.084379
C -7.138222 0.881703 0.970225
C 7.138830 -0.749249 1.043297
H 0.569048 -0.798713 -1.891944
H -0.581815 0.547161 -1.977317
H -0.362085 -1.359096 0.472890
H 0.359645 1.409758 0.290800
H -0.876495 -2.655800 -2.791975
H -2.105867 -3.724461 -2.095792
H -0.534673 -3.542746 -1.289733
H 0.863007 2.271499 -3.119455
H 2.089753 3.424081 -2.567632
H 0.519779 3.342880 -1.742974
H -3.845736 1.629576 1.491425
H 3.849061 -1.422275 1.672480
H -5.615490 -1.583531 -0.838792
H 5.606854 1.460729 -1.063285
H -6.113989 2.420669 2.087005
H 6.120327 -2.129972 2.355137
H -7.873480 -0.762702 -0.221684
H 7.867973 0.726348 -0.355375
H -8.131042 1.235624 1.237635
H 8.133006 -1.065727 1.349756


%chk=000251554-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251554

0 1
O -1.791476 1.211575 0.815748
O 1.765124 -1.048082 0.972596
N -3.276195 -0.456427 -0.052816
N 3.269930 0.453367 -0.131288
N -3.168579 -1.656262 -0.846067
N 3.176152 1.534486 -1.081066
C -0.007980 -0.063588 -1.383327
C -0.993159 -0.814552 -0.444260
C 0.989545 0.795528 -0.555758
C -1.884330 -1.853404 -1.089337
C 1.893502 1.720837 -1.340572
C -2.021282 0.125963 0.204709
C 2.007429 -0.063339 0.213240
C -1.414223 -3.028815 -1.891109
C 1.439813 2.786409 -2.291439
C -4.581840 -0.016699 0.330684
C 4.571041 0.045560 0.300308
C -4.748923 1.165558 1.100250
C 4.723092 -1.014083 1.234083
C -5.711742 -0.779410 -0.064520
C 5.711602 0.715887 -0.213801
C -6.050369 1.571106 1.465555
C 6.020237 -1.391446 1.642268
C -7.002753 -0.355691 0.311123
C 6.998118 0.322299 0.207419
C -7.182913 0.819839 1.076814
C 7.163307 -0.731813 1.136003
H 0.550720 -0.795491 -1.995621
H -0.575621 0.588987 -2.072165
H -0.376432 -1.285983 0.353717
H 0.381581 1.379763 0.170614
H -0.880099 -2.703170 -2.804275
H -2.269255 -3.655553 -2.190538
H -0.705236 -3.644747 -1.306469
H 0.904154 2.351448 -3.156795
H 2.303913 3.357313 -2.666862
H 0.737703 3.482680 -1.795467
H -3.874705 1.746267 1.401261
H 3.840980 -1.524322 1.625915
H -5.562810 -1.686778 -0.653348
H 5.574455 1.530381 -0.927970
H -6.174640 2.482983 2.060280
H 6.132713 -2.208549 2.363622
H -7.871012 -0.949341 0.003873
H 7.874665 0.844247 -0.192434
H -8.188458 1.143458 1.366311
H 8.165459 -1.032392 1.460009


