%chk=000258623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258623

0 1
P -0.002955 1.323078 -0.306784
O -1.204139 1.220860 0.829902
O 1.191212 1.227594 0.837856
O -0.003069 2.461129 -1.234754
N 0.004086 -0.195853 -1.140735
N 0.011325 -2.522319 -1.393326
C 0.005504 -1.462795 -0.516236
C -2.508248 1.252897 0.315212
C 2.498505 1.266891 0.331823
C 0.001370 -1.647798 0.887481
C 0.009246 -4.044643 0.501025
C 0.003318 -2.949031 1.380611
C 0.013086 -3.776502 -0.881791
C -3.045606 2.433671 -0.209588
C 3.032769 2.450678 -0.189338
C -3.253938 0.076439 0.463326
C 3.249713 0.094575 0.484807
C 0.011356 -5.442937 1.016708
C -4.387578 2.420908 -0.600787
C 4.377353 2.445399 -0.571638
C -4.593242 0.094919 0.068553
C 4.591481 0.120524 0.098917
C -5.157928 1.260663 -0.463236
C 5.153201 1.289433 -0.429052
H 0.007635 -0.222124 -2.184106
H -0.003241 -0.803011 1.580401
H 0.000206 -3.116793 2.458706
H 0.017769 -4.586742 -1.621402
H -2.439629 3.335042 -0.314033
H 2.422502 3.348679 -0.297741
H -2.791163 -0.815689 0.882200
H 2.789135 -0.800148 0.900554
H 0.016583 -6.190817 0.212627
H 0.895408 -5.637918 1.641311
H -0.876281 -5.643048 1.634570
H -4.833766 3.325289 -1.015338
H 4.821253 3.352280 -0.983171
H -5.199118 -0.804866 0.173893
H 5.201630 -0.775896 0.208219
H -6.201964 1.264295 -0.771577
H 6.199221 1.298887 -0.730468


%chk=000258623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258623

0 1
P -0.002713 1.271739 -0.469238
O -1.249779 1.223760 0.735355
O 1.236916 1.229948 0.743222
O -0.002326 2.457480 -1.526345
N 0.003421 -0.264126 -1.263650
N 0.012587 -2.553668 -1.652463
C 0.005913 -1.569229 -0.712133
C -2.634771 1.297609 0.381843
C 2.623786 1.311129 0.398768
C 0.001871 -1.832984 0.683484
C 0.012022 -4.232228 0.139762
C 0.005062 -3.178615 1.094157
C 0.015492 -3.847308 -1.222366
C -3.113920 2.122644 -0.660238
C 3.105377 2.137394 -0.641214
C -3.506530 0.540126 1.191520
C 3.494245 0.559636 1.215397
C 0.015401 -5.690830 0.551068
C -4.507283 2.168721 -0.894417
C 4.500021 2.190954 -0.865985
C -4.896079 0.610638 0.950699
C 4.884979 0.637590 0.983898
C -5.400674 1.419936 -0.094523
C 5.392137 1.448296 -0.058988
H 0.006507 -0.246250 -2.289626
H -0.003494 -1.016232 1.409773
H 0.002125 -3.413895 2.165156
H 0.020919 -4.606839 -2.013618
H -2.419878 2.715851 -1.264684
H 2.412177 2.725933 -1.251163
H -3.091500 -0.082342 1.989698
H 3.077279 -0.064026 2.011632
H 0.024819 -6.355139 -0.330350
H 0.902197 -5.935468 1.165310
H -0.878250 -5.943365 1.152085
H -4.891466 2.802453 -1.701107
H 4.886123 2.825743 -1.670925
H -5.581080 0.029004 1.577124
H 5.568946 0.060656 1.615775
H -6.478669 1.468167 -0.280957
H 6.471091 1.502338 -0.238136


