%chk=000198926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198926

0 1
P -3.029379 0.751038 0.380613
P 3.032989 -0.751492 0.390115
O -4.069881 1.437714 1.522716
O 4.072426 -1.430071 1.538016
O -2.473692 1.788443 -0.528549
O 2.477198 -1.795492 -0.511389
N -1.867869 -0.052502 1.409609
N 1.871219 0.060562 1.412037
C -4.084015 -0.633696 -0.303655
C 4.089036 0.627311 -0.303880
C -0.519808 0.577152 1.443015
C 0.523139 -0.568726 1.450654
C -3.199763 -1.445392 -1.240146
C -5.273286 0.002958 -1.009497
C 3.206004 1.432610 -1.247018
C 5.278272 -0.015521 -1.004160
H -4.445412 -1.281335 0.533895
H 4.450413 1.280952 0.529001
H -0.340162 1.222085 0.544295
H -0.377374 1.235374 2.326812
H 0.379423 -1.216305 2.342058
H 0.344765 -1.224361 0.559439
H -2.189405 -0.331722 2.351280
H 2.192501 0.348417 2.351150
H -3.768322 -2.274828 -1.684083
H -2.809991 -0.857744 -2.085560
H -2.337183 -1.899051 -0.727960
H -5.908861 -0.771204 -1.463045
H -4.979234 0.673442 -1.831543
H -5.916529 0.572613 -0.323236
H 3.775494 2.258229 -1.696841
H 2.816313 0.838903 -2.088229
H 2.343456 1.890780 -0.738823
H 5.914770 0.754732 -1.463034
H 4.984236 -0.691888 -1.821379
H 5.920598 -0.580566 -0.313237
H -4.136875 2.420051 1.497784
H 4.138088 -2.412669 1.521274


%chk=000198926-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198926

0 1
P -2.842513 0.938285 0.388958
P 2.843964 -0.938104 0.399037
O -4.253049 1.646333 1.160458
O 4.251595 -1.643603 1.178214
O -2.002030 1.894768 -0.581326
O 2.002452 -1.901236 -0.563782
N -1.860554 0.406423 1.723661
N 1.861404 -0.391378 1.727259
C -3.696438 -0.538104 -0.415321
C 3.702857 0.529357 -0.416224
C -0.412427 0.663864 1.789651
C 0.413264 -0.648287 1.795536
C -2.623678 -1.468445 -1.020819
C -4.708553 -0.031935 -1.466388
C 2.633547 1.457338 -1.031263
C 4.715514 0.011892 -1.461219
H -4.230482 -1.051030 0.407245
H 4.236784 1.047745 0.403013
H -0.142359 1.262049 0.900650
H -0.165272 1.272571 2.684646
H 0.166011 -1.248988 2.695921
H 0.143207 -1.254312 0.911879
H -2.317230 -0.013193 2.535360
H 2.317836 0.035936 2.535081
H -3.117058 -2.331589 -1.503080
H -2.030048 -0.941160 -1.789154
H -1.927265 -1.857151 -0.257255
H -5.198825 -0.896091 -1.950864
H -4.196453 0.556626 -2.248998
H -5.485777 0.601033 -1.006518
H 3.129734 2.316651 -1.517463
H 2.041690 0.925934 -1.798134
H 1.935158 1.851900 -0.272502
H 5.208904 0.870701 -1.951973
H 4.203216 -0.581818 -2.239798
H 5.490164 -0.619289 -0.994602
H -4.106127 2.575325 1.472520
H 4.102133 -2.570216 1.496093


