%chk=000202016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202016

0 1
P -1.696946 -0.239585 -0.015408
O -0.434428 0.550950 -0.867432
O -1.520399 -0.221095 1.462132
O 5.346604 0.580400 1.589636
O 5.742698 1.197878 -0.443934
N 4.987682 0.854933 0.454305
C -1.668771 -1.903988 -0.850087
C -3.100058 0.704735 -0.782827
C -2.774830 -2.812927 -0.286348
C -3.495656 1.922961 0.072049
C -2.459204 -3.275651 1.140397
C -2.947971 -4.030221 -1.209014
C -4.140526 1.509860 1.399633
C -4.461385 2.807603 -0.733109
C 0.854108 0.578640 -0.434096
C 1.293871 0.285051 0.868463
C 1.757010 0.975339 -1.450323
C 2.650796 0.380145 1.153438
C 3.106545 1.069040 -1.154477
C 3.556528 0.764154 0.147071
H -1.771548 -1.788343 -1.946301
H -0.677309 -2.381892 -0.703792
H -2.801222 1.039573 -1.800050
H -3.974959 0.041295 -0.932225
H -3.753312 -2.265555 -0.273127
H -2.584291 2.537596 0.296831
H -2.346737 -2.436343 1.844844
H -1.527000 -3.849238 1.188290
H -3.255150 -3.915690 1.535845
H -3.727021 -4.703371 -0.832916
H -3.232081 -3.735494 -2.223866
H -2.025448 -4.617229 -1.282040
H -3.425599 0.997000 2.064245
H -4.995314 0.842690 1.257662
H -4.499258 2.385131 1.952933
H -4.747965 3.697896 -0.161253
H -4.009314 3.155023 -1.667601
H -5.384757 2.276816 -0.986856
H 0.588793 0.009136 1.667377
H 1.371578 1.205787 -2.442399
H 3.025059 0.159988 2.161129
H 3.832487 1.374300 -1.917399


%chk=000202016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202016

0 1
P -1.873293 -0.245568 0.072546
O -0.561591 0.691735 -0.742489
O -1.767631 -0.290409 1.673585
O 5.387774 0.243124 1.571267
O 5.780533 1.116619 -0.500650
N 4.984620 0.678018 0.421277
C -1.721918 -1.907509 -0.801369
C -3.292122 0.726055 -0.676529
C -2.676363 -3.001605 -0.246569
C -3.574673 2.084343 0.018328
C -2.211743 -3.510892 1.138760
C -2.766871 -4.161332 -1.268705
C -4.211787 1.891040 1.415238
C -4.482626 2.939888 -0.898229
C 0.790077 0.651645 -0.388364
C 1.261095 0.202435 0.876656
C 1.696486 1.122971 -1.375404
C 2.643059 0.209335 1.135911
C 3.074444 1.136859 -1.111109
C 3.536490 0.672426 0.143417
H -1.920711 -1.700765 -1.869965
H -0.667519 -2.229518 -0.709724
H -3.011097 0.874217 -1.735573
H -4.188670 0.076795 -0.639015
H -3.693342 -2.567549 -0.135748
H -2.609277 2.616167 0.139344
H -2.116931 -2.681976 1.861710
H -1.226811 -4.009476 1.053933
H -2.930115 -4.248911 1.539053
H -3.429109 -4.959594 -0.887300
H -3.165256 -3.821926 -2.243031
H -1.769209 -4.607392 -1.442727
H -3.565833 1.280020 2.069349
H -5.196929 1.392052 1.327691
H -4.374136 2.870428 1.900656
H -4.694212 3.916201 -0.425644
H -4.009590 3.131726 -1.879319
H -5.452291 2.435826 -1.075240
H 0.547515 -0.122645 1.639986
H 1.298118 1.470751 -2.332578
H 3.040331 -0.128698 2.096674
H 3.796416 1.492388 -1.850699


