%chk=000280816.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280816

0 1
P 2.777333 0.263030 0.587352
O 1.526713 -0.831157 0.451641
O 3.073084 0.574183 -1.000187
O 3.962460 -0.782832 0.950987
O 2.608546 1.412136 1.482468
N -3.840721 0.757877 -0.080249
C -2.453699 0.306351 -0.013593
C -1.658416 0.990422 0.943394
C -1.885749 -0.721213 -0.799464
C 0.227249 -0.367666 0.314410
C -0.309192 0.649395 1.107255
C -0.533029 -1.053392 -0.637672
C -2.240001 2.071921 1.791608
C -2.678555 -1.492279 -1.805711
C -4.185983 1.327563 -1.415249
C -4.800397 -0.306461 0.335705
C 2.793928 1.919087 -1.477519
C 4.116744 -1.930950 0.045693
C 1.304328 2.134745 -1.663898
C 5.388222 -2.588549 0.543627
H 0.297747 1.169124 1.855172
H -0.068837 -1.841375 -1.224452
H -1.497239 2.570279 2.425495
H -2.731930 2.839392 1.173017
H -3.029489 1.668979 2.445942
H -3.275969 -2.272889 -1.311397
H -3.374282 -0.848491 -2.370441
H -2.040296 -1.996847 -2.543473
H -4.165875 0.603376 -2.248957
H -3.477884 2.139266 -1.647889
H -5.193118 1.769456 -1.359766
H -5.777012 0.169073 0.523608
H -4.459976 -0.748987 1.286189
H -4.945741 -1.119890 -0.388116
H 3.251551 2.665788 -0.799472
H 3.338585 1.910431 -2.444280
H 3.228788 -2.582961 0.163078
H 4.208170 -1.569895 -0.996977
H 1.107439 2.957685 -2.361462
H 0.814695 1.237775 -2.071949
H 0.788141 2.385419 -0.724651
H 5.598523 -3.519500 0.006618
H 6.253494 -1.920863 0.430918
H 5.314951 -2.819756 1.616846


%chk=000280816-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280816

0 1
P 2.829472 0.296000 0.559746
O 1.514999 -0.848185 0.597459
O 3.019749 0.608707 -1.134395
O 4.105307 -0.764318 0.950401
O 2.742156 1.582399 1.481314
N -3.949522 0.444615 -0.268016
C -2.568752 0.146402 -0.060751
C -1.778879 0.962479 0.816060
C -1.964671 -0.974173 -0.722952
C 0.160002 -0.452733 0.364929
C -0.410497 0.660475 1.014183
C -0.600142 -1.266165 -0.493667
C -2.403908 2.109541 1.589578
C -2.747528 -1.815053 -1.716117
C -4.390550 1.733239 -0.806199
C -5.002114 -0.531440 0.020384
C 2.984977 2.027952 -1.613677
C 4.310427 -2.024094 0.160369
C 1.575891 2.406735 -2.070248
C 5.583373 -2.653571 0.714891
H 0.195878 1.264720 1.697994
H -0.115237 -2.107017 -1.000193
H -1.777695 2.387450 2.454082
H -2.531142 3.017592 0.969262
H -3.408370 1.828339 1.954237
H -3.413873 -2.545160 -1.218104
H -3.389714 -1.174484 -2.347570
H -2.065622 -2.384121 -2.370768
H -5.032057 1.585523 -1.702680
H -3.518484 2.330681 -1.118555
H -4.977519 2.331766 -0.073988
H -5.788066 -0.075708 0.660929
H -4.581662 -1.387848 0.572687
H -5.504416 -0.919304 -0.894648
H 3.345524 2.693566 -0.807568
H 3.704883 2.034095 -2.449117
H 3.425889 -2.669740 0.303955
H 4.405796 -1.758386 -0.908817
H 1.585366 3.424090 -2.505764
H 1.211735 1.701924 -2.837293
H 0.867253 2.399434 -1.223569
H 5.793586 -3.600658 0.183649
H 6.444212 -1.976915 0.582580
H 5.471245 -2.871849 1.790162


