%chk=000258625.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258625

0 1
P -0.002211 0.949707 -0.235873
O -1.199698 0.980318 0.907176
O 1.199012 0.982114 0.903232
O -0.004650 1.966350 -1.295519
N -0.002102 -0.658849 -0.896486
N -0.000753 -2.997995 -0.900447
C -2.501355 0.957771 0.379688
C 2.499019 0.959423 0.371853
C -5.153877 0.891588 -0.423669
C 5.147958 0.891648 -0.443121
C -3.062881 2.113995 -0.173751
C 3.057369 2.113816 -0.188540
C -3.225611 -0.228811 0.547031
C 3.225278 -0.225529 0.542222
C -0.000517 -1.846910 -0.141024
C -4.398296 2.066833 -0.577079
C 4.391244 2.066088 -0.596928
C -4.559624 -0.251060 0.140415
C 4.557713 -0.248309 0.130559
C -6.577428 0.851291 -0.874083
C 6.578319 0.859632 -0.872181
C 0.001054 -1.878000 1.275170
C 0.002461 -3.120114 1.904905
C 0.000664 -4.188085 -0.252680
C 0.002307 -4.296171 1.146120
H -0.002744 -0.795299 -1.931666
H -2.474313 3.025090 -0.290383
H 2.467589 3.023938 -0.306837
H -2.750825 -1.102654 0.991911
H 2.753046 -1.097710 0.993029
H -4.854964 2.953866 -1.015354
H 4.846104 2.952449 -1.038430
H -5.141842 -1.163775 0.261028
H 5.142184 -1.158975 0.255700
H -7.183697 0.151761 -0.282991
H -7.065846 1.832749 -0.804729
H -6.643642 0.530242 -1.924919
H 6.897485 -0.142431 -1.189141
H 6.777486 1.537293 -1.713548
H 7.239124 1.164935 -0.046659
H 0.001117 -0.962842 1.871338
H 0.003676 -3.173232 2.995023
H 0.000453 -5.077113 -0.895929
H 0.003413 -5.269333 1.625470


%chk=000258625-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258625

0 1
P 0.011693 0.841380 -0.452324
O -1.232510 0.884024 0.754483
O 1.262585 0.860962 0.749528
O 0.020958 1.953613 -1.585952
N -0.006685 -0.746732 -1.146839
N -0.028199 -3.055140 -1.383108
C -2.617021 0.935775 0.387680
C 2.642522 0.917640 0.364486
C -5.402840 1.036143 -0.117117
C 5.416708 1.017580 -0.194017
C -3.096878 1.736618 -0.670563
C 3.127233 1.881289 -0.545163
C -3.495394 0.191960 1.201195
C 3.508589 0.003401 0.997207
C -0.017410 -2.007712 -0.508005
C -4.488518 1.771203 -0.913335
C 4.512784 1.914244 -0.819033
C -4.881516 0.254179 0.947327
C 4.890162 0.064467 0.717157
C -6.894678 1.066514 -0.402045
C 6.908837 1.088757 -0.469629
C -0.017290 -2.170372 0.904447
C -0.029475 -3.484832 1.410781
C -0.039477 -4.316495 -0.866437
C -0.040688 -4.585630 0.519408
H -0.005952 -0.797176 -2.171726
H -2.403863 2.322609 -1.283084
H 2.438988 2.580967 -1.029720
H -3.088714 -0.412319 2.017561
H 3.096892 -0.735040 1.691805
H -4.866601 2.391367 -1.734646
H 4.895117 2.656923 -1.529191
H -5.567172 -0.318062 1.583655
H 5.567279 -0.643778 1.209495
H -7.485402 1.064615 0.531516
H -7.178063 1.961743 -0.982174
H -7.207047 0.180587 -0.988415
H 7.367491 0.083881 -0.480504
H 7.119192 1.568942 -1.440942
H 7.430253 1.677990 0.309681
H -0.009434 -1.303795 1.570711
H -0.030653 -3.647426 2.493913
H -0.048050 -5.128518 -1.601986
H -0.050553 -5.616646 0.883822


