%chk=000267072.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267072

0 1
P 0.025724 -0.105508 -0.448072
O 0.107197 -0.154981 -1.912810
O 1.045751 2.629590 0.411201
O 1.555855 -2.142345 -0.116281
O -2.854251 -0.347727 0.613420
O 3.429079 3.177657 1.576600
O 1.028119 -4.841876 0.356884
O -4.506610 1.653990 1.331986
N 1.515801 0.372886 0.382243
N -0.535781 -1.576089 0.344109
N -1.131407 1.108374 0.126217
N 3.246909 1.971519 0.871732
N 0.228971 -3.823296 0.912017
N -3.225742 1.952343 0.892025
C 1.851854 1.723942 0.575138
C 0.470665 -2.543804 0.308890
C -2.435705 0.800643 0.523561
C 3.523327 4.300937 0.648638
C 2.347246 -4.860224 0.979981
C -5.420036 1.152073 0.310404
H 2.269209 -0.356066 0.425517
H -1.502838 -1.692365 0.723994
H -0.779274 2.100876 0.221213
H 3.729456 1.279629 1.457726
H -0.725883 -4.197361 0.828110
H -3.242448 2.741371 0.240262
H 2.555568 4.458031 0.156808
H 4.323354 4.142049 -0.077658
H 3.758520 5.115839 1.343545
H 2.777023 -5.753260 0.508771
H 2.268243 -4.972602 2.063357
H 2.901762 -3.955703 0.702285
H -5.078365 0.179143 -0.061074
H -5.560165 1.876628 -0.491406
H -6.338430 1.033490 0.899868


%chk=000267072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267072

0 1
P 0.025785 0.146812 -0.803372
O -0.045884 0.349286 -2.373058
O 0.980818 2.756484 0.579970
O 2.014068 -2.124581 -0.011161
O -2.794672 -0.578900 0.199250
O 3.605111 3.121326 1.551188
O 1.238765 -4.798896 0.316867
O -4.488521 1.217221 1.561577
N 1.555557 0.554274 -0.023298
N -0.247601 -1.498647 -0.223316
N -1.128670 1.079141 0.153816
N 3.204759 2.035504 0.702027
N 0.302457 -3.706248 0.279381
N -3.282917 1.607357 0.884638
C 1.857416 1.837187 0.441255
C 0.774392 -2.428718 -0.011277
C -2.423713 0.624500 0.414404
C 3.707289 4.379840 0.758933
C 1.897359 -4.860101 1.648231
C -5.562498 0.936355 0.567613
H 2.174828 -0.278898 0.073419
H -1.254801 -1.675109 -0.032651
H -0.723503 1.979831 0.484416
H 3.905808 1.293166 0.645691
H -0.626129 -4.019697 -0.015070
H -2.973936 2.548140 1.140429
H 2.712640 4.658523 0.374754
H 4.432537 4.261598 -0.066303
H 4.066968 5.119712 1.491289
H 2.517484 -5.768578 1.591418
H 1.144420 -4.949737 2.451911
H 2.529618 -3.968697 1.796086
H -5.279473 0.068776 -0.050458
H -5.752776 1.825301 -0.060564
H -6.440286 0.704276 1.191168


