%chk=000272234.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272234

0 1
O 4.120346 2.467075 0.439516
O -5.630235 -1.028744 0.250252
O -5.735761 1.216553 0.470536
N 0.527661 0.054732 -0.800732
N 3.765047 -1.598615 0.018210
N 5.069235 0.374317 0.565523
N 6.110169 -1.771476 0.518708
C 1.302429 -1.230182 -0.675895
C 1.422122 1.220131 -0.431191
C 2.674441 -0.768879 -0.243724
C 2.740550 0.586838 -0.104652
C -0.836288 0.073038 -0.445699
C 3.973759 1.278132 0.302713
C -1.492364 1.311333 -0.224732
C -1.594034 -1.125047 -0.432409
C 4.979839 -0.925955 0.399795
C -2.861210 1.340909 0.000516
C -2.964417 -1.078197 -0.205581
C -3.610654 0.148638 0.017808
C -5.057139 0.233631 0.267461
C -7.062195 -1.083926 0.482208
H 1.319731 -1.718281 -1.678036
H 0.853318 -1.943309 0.049687
H 1.029809 1.812575 0.424032
H 1.491827 1.892982 -1.316680
H 3.740422 -2.589369 -0.202017
H -0.937059 2.246528 -0.245043
H -1.122839 -2.085199 -0.616972
H -3.373256 2.294664 0.169492
H -3.552717 -2.001478 -0.198038
H 6.968231 -1.271891 0.769396
H 5.992433 -2.608003 1.079023
H -7.290138 -0.671699 1.470387
H -7.272633 -2.156186 0.424467
H -7.582032 -0.519540 -0.298629


%chk=000272234-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272234

0 1
O 4.206679 2.556232 0.012676
O -5.784782 -1.040703 0.000517
O -5.827547 1.292351 0.013733
N 0.559297 -0.022685 0.006075
N 3.894191 -1.558438 -0.011873
N 5.251640 0.440274 -0.003094
N 6.267634 -1.666802 -0.017265
C 1.320268 -1.289959 -0.005482
C 1.427833 1.186826 0.006926
C 2.741543 -0.778587 -0.005667
C 2.811793 0.588992 0.001024
C -0.827306 0.021759 0.005228
C 4.104344 1.294148 0.004161
C -1.519033 1.276004 0.011597
C -1.604894 -1.181138 -0.001787
C 5.132306 -0.879215 -0.010350
C -2.918962 1.314758 0.012033
C -3.006197 -1.127813 -0.001245
C -3.687710 0.118531 0.005987
C -5.162470 0.223105 0.007546
C -7.262667 -1.010640 0.001532
H 1.091104 -1.903487 -0.905895
H 1.095295 -1.916561 0.886783
H 1.253317 1.817089 0.902554
H 1.247569 1.822710 -0.883678
H 3.840899 -2.577763 -0.014987
H -0.955286 2.213512 0.016094
H -1.110148 -2.157668 -0.008043
H -3.448774 2.273296 0.017165
H -3.592077 -2.051415 -0.006473
H 7.155978 -1.170604 -0.016434
H 6.255458 -2.683001 -0.024751
H -7.637732 -0.493837 0.901420
H -7.566387 -2.067437 -0.003103
H -7.638778 -0.485734 -0.893223


