%chk=000198381.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198381

0 1
P 3.178247 0.202919 0.335643
O 1.803107 -0.752185 0.198667
O 3.442678 0.414293 -1.271964
O 4.224295 -0.953878 0.781016
O 3.102117 1.401043 1.175071
O -2.788736 -2.700038 -0.990965
O -3.771881 2.077192 0.708879
O -4.336444 0.316830 -0.412917
N -3.513438 1.022634 0.155571
C 0.545345 -0.217505 0.206927
C -1.735363 -0.635901 -0.473072
C -0.405261 -1.031614 -0.448806
C -2.113349 0.568821 0.157747
C 0.180617 0.978767 0.844046
C -1.156578 1.361995 0.818421
C -2.735924 -1.514126 -1.201823
C 3.871187 1.743675 -1.660729
C 4.275658 -2.126184 -0.080476
H -0.082847 -1.971035 -0.905858
H 0.914046 1.602649 1.376333
H -1.475759 2.287849 1.317031
H -3.374595 -0.990042 -1.932937
H 3.551717 1.806618 -2.711770
H 4.966181 1.791081 -1.592239
H 3.400158 2.540422 -1.068528
H 4.510513 -1.851014 -1.116797
H 3.338242 -2.694013 -0.005896
H 5.104569 -2.698253 0.363727


%chk=000198381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198381

0 1
P 3.202450 0.236782 0.364641
O 1.754343 -0.744680 0.272024
O 3.344307 0.610760 -1.314646
O 4.324180 -0.988530 0.726029
O 3.228137 1.464567 1.361956
O -2.416387 -2.721407 -1.606319
O -3.842671 2.304627 0.425429
O -4.589647 0.183098 0.056427
N -3.639184 1.048283 0.207785
C 0.445769 -0.230809 0.228654
C -1.873744 -0.670364 -0.447816
C -0.512549 -1.050519 -0.398350
C -2.234784 0.574475 0.150375
C 0.078714 1.007507 0.814397
C -1.268352 1.404981 0.760042
C -2.793659 -1.584851 -1.219652
C 4.098135 1.834865 -1.705319
C 4.376802 -2.239078 -0.083310
H -0.217111 -1.994577 -0.866771
H 0.825836 1.633368 1.312808
H -1.590998 2.350589 1.203116
H -3.804962 -1.201834 -1.453943
H 3.798821 2.017447 -2.747298
H 5.184325 1.650207 -1.643206
H 3.818038 2.688040 -1.063947
H 4.529948 -2.004142 -1.150762
H 3.449925 -2.817636 0.058396
H 5.242819 -2.780171 0.323561


