%chk=000244655.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244655

0 1
P -2.030657 -0.459711 -0.197550
O -1.081451 0.839490 0.314226
O -1.837369 -0.803019 -1.627027
N -1.600698 -1.692332 0.965556
N -3.616311 0.083248 0.258852
C -1.003719 -2.976805 0.462236
C -4.075956 1.482007 -0.034767
C -2.399241 -2.952139 1.066027
C -3.846058 1.021987 1.398071
C 0.180091 -3.501050 1.250830
C -5.476610 1.602827 -0.602513
C 1.496991 -3.051910 0.625681
C -5.442302 1.681300 -2.125539
C 0.293989 0.684521 0.203112
C 0.924882 0.406200 -0.986611
C 1.007390 0.929964 1.418425
C 2.352695 0.354527 -1.008164
C 2.375885 0.887045 1.398577
C 3.083607 0.595701 0.186352
C 3.066335 0.063582 -2.214889
C 4.512175 0.542386 0.152213
C 4.437952 0.018998 -2.216830
C 5.171390 0.261244 -1.018735
H -0.903135 -3.145173 -0.627705
H -3.371975 2.214776 -0.469054
H -3.281939 -3.137836 0.447556
H -2.567743 -3.297065 2.092971
H -3.018718 1.432325 1.986210
H -4.692157 0.755736 2.041383
H 0.125382 -4.607666 1.290483
H 0.128764 -3.151176 2.304145
H -5.963967 2.502531 -0.175850
H -6.097592 0.736732 -0.287591
H 1.613731 -3.419024 -0.400374
H 1.566394 -1.954545 0.586425
H 2.355066 -3.410983 1.204291
H -4.918629 2.575484 -2.481455
H -4.926529 0.809519 -2.554603
H -6.453961 1.700900 -2.545615
H 0.367074 0.223266 -1.909928
H 0.436961 1.139776 2.321009
H 2.950386 1.071434 2.306450
H 2.496076 -0.119670 -3.125109
H 5.063966 0.730230 1.072116
H 4.987709 -0.200871 -3.131046
H 6.258326 0.219743 -1.052842


%chk=000244655-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244655

0 1
P -2.104623 -0.731289 -0.258771
O -0.941023 0.320921 0.571382
O -1.876845 -0.888101 -1.833660
N -2.028815 -2.198179 0.748037
N -3.635687 -0.040743 0.205788
C -0.939610 -3.227345 0.429179
C -3.897088 1.452148 0.217525
C -2.376649 -3.511400 0.049223
C -3.868141 0.665314 1.520591
C -0.270783 -3.853094 1.640604
C -5.180724 1.901502 -0.457786
C 0.808674 -2.934220 2.253444
C -5.025594 1.970499 -1.993263
C 0.430372 0.457059 0.237458
C 0.955132 0.212976 -1.034394
C 1.259710 0.910747 1.312204
C 2.357652 0.402583 -1.267154
C 2.621565 1.110232 1.095321
C 3.211811 0.859417 -0.188499
C 2.943332 0.155387 -2.554136
C 4.611035 1.048192 -0.436064
C 4.310869 0.347415 -2.765679
C 5.153616 0.797022 -1.698882
H -0.270908 -2.975567 -0.407564
H -3.017747 2.088533 0.037610
H -2.642223 -3.463829 -1.014267
H -2.980686 -4.182080 0.668291
H -3.006516 0.802951 2.183022
H -4.808501 0.386428 2.007565
H 0.178256 -4.818149 1.329386
H -1.045001 -4.082107 2.396973
H -5.461411 2.895044 -0.053475
H -5.990945 1.197389 -0.190740
H 1.602096 -2.698201 1.520191
H 0.358964 -1.980449 2.581535
H 1.285414 -3.411305 3.128563
H -4.243051 2.695516 -2.285161
H -4.737274 0.983095 -2.395283
H -5.970693 2.279736 -2.474493
H 0.300050 -0.113393 -1.849294
H 0.798667 1.091135 2.287991
H 3.259735 1.459230 1.915760
H 2.297828 -0.187322 -3.371410
H 5.252316 1.394242 0.383763
H 4.745735 0.155036 -3.752813
H 6.224212 0.943532 -1.879219


