%chk=000237417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237417

0 1
P -6.450627 -0.124769 0.336069
O -5.084522 0.145848 -0.493584
O 1.319310 -1.869644 -1.149981
O 5.513055 -1.409189 0.735446
O -6.353189 1.059956 1.481625
O -6.050022 -1.438379 1.256600
O -7.710445 -0.234332 -0.401575
N 0.955331 1.166706 -0.655914
N 4.244791 0.506159 0.596684
N 3.409615 -1.645377 -0.202988
N 2.627150 2.403538 0.303514
C -0.343703 0.773275 -1.230804
C -1.429316 0.721094 -0.143855
C 2.014293 0.283921 -0.383811
C 3.036562 1.079125 0.207243
C -2.777527 0.342075 -0.759100
C 2.139998 -1.133035 -0.636305
C 1.358652 2.423078 -0.222410
C -3.861878 0.248547 0.313310
C 4.465224 -0.891861 0.399319
C 5.306638 1.342929 1.206335
C 3.688893 -3.096273 -0.392118
H -0.618322 1.488770 -2.039029
H -0.231459 -0.237500 -1.711267
H -1.503380 1.696260 0.377289
H -1.141622 -0.018022 0.634291
H -2.709503 -0.624114 -1.302195
H -3.092514 1.082284 -1.525799
H 0.753049 3.318021 -0.298046
H -3.928905 1.161880 0.936239
H -3.754906 -0.653470 0.946964
H 6.184716 0.718863 1.461170
H 4.930343 1.825989 2.125920
H 5.620962 2.134149 0.502227
H 2.821827 -3.588352 -0.871889
H 3.882494 -3.579880 0.581057
H 4.578445 -3.236436 -1.030662
H -7.198167 1.427859 1.837821
H -6.661443 -2.214694 1.238210


%chk=000237417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237417

0 1
P -6.391046 -0.443125 0.371358
O -5.014370 0.124891 -0.452394
O 0.841352 -1.667714 -0.773533
O 5.214484 -1.631416 0.994206
O -6.253360 0.455245 1.827523
O -5.997968 -2.012415 1.006197
O -7.724279 -0.381991 -0.474124
N 1.089286 1.451026 -0.823506
N 4.236784 0.447521 0.513432
N 3.040874 -1.616038 0.114662
N 2.991158 2.499685 -0.093543
C -0.282259 1.256098 -1.340621
C -1.284283 0.856683 -0.235643
C 1.974230 0.444182 -0.400802
C 3.126259 1.123582 0.033323
C -2.701878 0.676897 -0.826480
C 1.850352 -0.990990 -0.394374
C 1.743707 2.653396 -0.613989
C -3.694416 0.231172 0.246302
C 4.228643 -0.966218 0.568353
C 5.430944 1.191672 0.960639
C 3.068432 -3.095673 0.183328
H -0.589483 2.202201 -1.822845
H -0.251517 0.464848 -2.109544
H -1.291298 1.631376 0.556140
H -0.942215 -0.092472 0.216371
H -2.683176 -0.080521 -1.632513
H -3.062391 1.624046 -1.271354
H 1.292311 3.613648 -0.852569
H -3.790021 0.968036 1.063748
H -3.427001 -0.755995 0.668631
H 6.175203 0.455141 1.295941
H 5.164701 1.870552 1.787771
H 5.834947 1.792048 0.128556
H 2.094610 -3.458898 -0.175614
H 3.247256 -3.421422 1.220840
H 3.883376 -3.488468 -0.446379
H -6.868191 0.189425 2.555798
H -6.329861 -2.765016 0.452707


