%chk=000191503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191503

0 1
P -3.483232 2.812734 0.295545
O -3.989393 -0.729339 -1.042048
O -5.894008 -2.694961 0.665579
O -4.432143 1.650552 0.940300
O -1.995786 2.405898 0.859093
O -3.188837 2.379096 -1.281746
O -4.023568 4.156038 0.469363
O 4.463505 -1.166212 1.239079
N -1.729037 -1.258965 -0.884541
N -0.117322 0.386166 -0.970125
N -0.399255 -2.994064 0.366337
N 1.871160 -2.233335 0.875276
N 2.677919 -0.045845 0.243700
C -4.615715 -2.096812 0.813799
C -3.084910 -1.845441 -1.088485
C -4.623742 -0.642210 0.263420
C -3.535623 -2.828591 -0.007135
C -3.874869 0.336067 1.174887
C -0.602562 -1.774587 -0.229440
C -1.366052 0.062383 -1.316628
C 0.397755 -0.737774 -0.297757
C 1.672690 -1.018563 0.284830
C 0.845977 -3.147773 0.887686
C 4.021444 -0.162511 0.751177
C 4.769914 1.123802 0.565307
C 5.867533 1.147469 -0.304562
C 4.404807 2.267618 1.286632
C 6.596679 2.329889 -0.459947
C 5.141792 3.444541 1.129234
C 6.234231 3.476261 0.255301
H -4.451260 -2.164519 1.911798
H -3.156182 -2.220670 -2.137882
H -5.644653 -0.262180 0.026363
H -3.937926 -3.761271 -0.448788
H -2.707162 -3.187899 0.642517
H -4.114640 0.157594 2.246349
H -2.776948 0.294869 1.037739
H -6.176510 -2.722595 -0.275003
H -2.081142 0.689191 -1.855839
H 1.072228 -4.110891 1.379996
H 2.411380 0.835078 -0.225597
H -1.243842 2.360035 0.197062
H -3.721709 2.809682 -1.991828
H 6.154621 0.247311 -0.850360
H 3.558663 2.239016 1.973923
H 7.451082 2.355469 -1.135741
H 4.865800 4.337084 1.690104
H 6.806449 4.396268 0.134061


%chk=000191503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191503

0 1
P -1.070130 2.411950 -0.133308
O -4.199937 -0.968695 -0.933816
O -5.792780 -1.813970 1.545568
O -2.510958 1.365419 -0.313704
O 0.064313 1.807888 -1.171213
O -1.641728 3.799282 -0.970605
O -0.669615 2.604679 1.397889
O 4.307599 -1.040772 0.036249
N -2.045464 -1.936580 -1.227435
N -0.491395 -0.435914 -1.889596
N -0.570715 -3.346253 0.239485
N 1.664367 -2.353906 0.517718
N 2.156409 -0.150596 -0.331108
C -4.363445 -1.558897 1.351879
C -3.480094 -2.242396 -0.851916
C -4.128111 -0.334031 0.428995
C -3.646332 -2.735693 0.610100
C -2.813147 0.403714 0.761271
C -0.829209 -2.305223 -0.594701
C -1.773025 -0.830610 -2.013457
C 0.117007 -1.319074 -0.981064
C 1.363747 -1.286476 -0.287382
C 0.723131 -3.322839 0.701960
C 3.533366 -0.051374 0.056982
C 3.965781 1.332732 0.438014
C 5.353783 1.626981 0.370463
C 3.057134 2.323758 0.899657
C 5.827405 2.900935 0.738888
C 3.538765 3.596931 1.274446
C 4.919229 3.890547 1.189204
H -3.979045 -1.413473 2.373061
H -3.914433 -2.903732 -1.616224
H -4.971324 0.373292 0.445045
H -4.287871 -3.630561 0.650302
H -2.682493 -3.006416 1.067131
H -2.958722 0.937787 1.720983
H -1.969361 -0.300825 0.906167
H -6.227303 -1.879522 0.655388
H -2.542207 -0.284054 -2.547428
H 1.024663 -4.170319 1.323597
H 1.677208 0.720107 -0.631333
H -0.201722 0.738867 -1.797494
H -2.258220 4.365048 -0.439484
H 6.037476 0.840759 0.033250
H 1.985914 2.116219 1.005844
H 6.897854 3.125110 0.678597
H 2.833997 4.351818 1.638000
H 5.287238 4.881481 1.478140


