%chk=000266325.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266325

0 1
P 2.487202 -0.037302 0.827495
O 1.676925 -0.402472 -0.605394
O -3.771862 0.214838 -0.408552
O 0.054951 -2.463797 0.264995
O 3.914958 -0.736217 0.387473
O 2.873846 1.543017 0.744302
O 0.324822 1.967641 -1.467984
O 1.852270 -0.442286 2.087021
N -1.707319 1.068057 -0.923443
N -1.902395 -1.178325 -0.024453
C 0.308879 -0.242693 -0.493497
C -0.234050 0.999836 -1.003712
C -2.432555 -0.009666 -0.431411
C -0.515395 -1.292931 -0.079289
C -2.408565 2.298597 -1.362991
C -0.797397 -3.479732 0.883633
C -4.612400 -0.865315 0.114747
C 3.938276 -2.175278 0.540623
C 3.331055 2.014202 -0.552135
H -3.123158 2.073164 -2.172445
H -1.666514 3.032219 -1.740651
H -2.955687 2.756774 -0.521281
H -1.574519 -3.792692 0.180754
H -1.227359 -3.084803 1.809836
H -0.066416 -4.273113 1.078566
H -5.608097 -0.414343 0.028882
H -4.339349 -1.076460 1.154049
H -4.502054 -1.755918 -0.512159
H 4.986076 -2.422733 0.317132
H 3.272782 -2.646799 -0.195091
H 3.690499 -2.475435 1.567614
H 2.503830 1.976603 -1.281984
H 4.210671 1.455468 -0.891588
H 3.596246 3.058693 -0.337164


%chk=000266325-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266325

0 1
P 2.629741 0.072812 0.932682
O 1.651995 -0.286372 -0.520331
O -3.851108 0.133178 -0.482249
O 0.057329 -2.396457 0.352580
O 4.000936 -0.868981 0.496354
O 3.246467 1.647278 0.745165
O 0.295555 2.093896 -1.351478
O 1.917944 -0.186972 2.321299
N -1.792978 1.073354 -0.920720
N -1.927359 -1.160244 -0.051157
C 0.257617 -0.172055 -0.484073
C -0.332869 1.069056 -0.949478
C -2.484368 -0.027392 -0.469214
C -0.551258 -1.233103 -0.060260
C -2.498168 2.296979 -1.364259
C -0.800882 -3.441227 0.951107
C -4.655485 -1.010319 0.009490
C 3.849821 -2.346016 0.487922
C 3.579373 2.172900 -0.612130
H -3.157284 2.070658 -2.217926
H -1.720108 3.016720 -1.660534
H -3.105383 2.707406 -0.541321
H -1.551399 -3.793408 0.223919
H -1.308297 -3.052642 1.849763
H -0.099978 -4.245309 1.216478
H -5.695186 -0.667299 -0.084363
H -4.399130 -1.232164 1.058290
H -4.469140 -1.901965 -0.611223
H 4.770014 -2.715326 0.011828
H 2.962282 -2.642939 -0.097886
H 3.773099 -2.725511 1.521807
H 2.655010 2.253098 -1.208002
H 4.324927 1.523257 -1.102025
H 4.006467 3.165908 -0.408157


