%chk=000229638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229638

0 1
P -4.491362 0.151825 0.096449
O -0.359561 -1.727710 0.186237
O -5.203634 0.009581 1.591128
O -5.375218 -0.915736 -0.820067
O -4.539063 1.533913 -0.435745
N 2.183392 2.107722 -0.220378
C 0.773004 0.329269 0.000072
C -1.753400 0.222193 0.165149
C 2.128023 -0.174981 -0.011468
C -2.905263 -0.751277 0.342878
C -0.416826 -0.516340 0.123446
C 2.998157 0.954076 -0.149312
C 0.846922 1.716698 -0.129647
C 2.681663 -1.466325 0.081022
C 4.398518 0.817918 -0.194553
C 4.058523 -1.596697 0.036029
C 4.907588 -0.466299 -0.100051
H -1.720861 0.965978 0.992193
H -1.850250 0.818248 -0.771899
H -2.819508 -1.610501 -0.366552
H -2.874681 -1.238532 1.345087
H 0.043130 2.436896 -0.164817
H 2.516897 3.047559 -0.323317
H 2.012552 -2.324770 0.183626
H 5.044167 1.683058 -0.299063
H 4.513958 -2.583779 0.105136
H 5.985075 -0.625584 -0.130073
H -5.917004 0.659563 1.807089
H -6.082037 -0.526365 -1.392999


%chk=000229638-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229638

0 1
P -4.594602 0.055321 -0.104844
O -0.395390 -1.796982 -0.110878
O -4.587304 0.958610 1.381929
O -5.695023 -1.262009 0.159005
O -4.957389 0.937728 -1.385260
N 2.180166 2.080933 0.147069
C 0.778273 0.285056 0.031756
C -1.795563 0.203517 0.022423
C 2.155645 -0.202028 -0.010991
C -2.962729 -0.796250 0.039130
C -0.439736 -0.528386 -0.021874
C 3.012889 0.946664 0.062789
C 0.850608 1.687734 0.128603
C 2.736262 -1.492535 -0.104736
C 4.420203 0.853478 0.045903
C 4.141951 -1.595584 -0.122417
C 4.973932 -0.440105 -0.048256
H -1.838681 0.853232 0.916865
H -1.867216 0.870650 -0.860692
H -2.889568 -1.511293 -0.796280
H -2.983150 -1.382559 0.971620
H 0.049150 2.422385 0.183427
H 2.506619 3.043709 0.210539
H 2.091881 -2.373239 -0.161224
H 5.061356 1.739933 0.102502
H 4.609581 -2.583593 -0.194943
H 6.062894 -0.558841 -0.064816
H -5.278131 1.666608 1.434416
H -6.564026 -1.152552 -0.305164


