%chk=000196487.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196487

0 1
P 3.325870 -2.443691 1.775802
O 2.517903 0.854573 -1.563838
O 2.470973 4.069676 -1.241084
O 3.962222 2.949401 0.426133
O 3.558368 -0.944834 1.177513
O 1.868631 -2.299017 2.529727
O 2.738380 -3.319398 0.493847
O 4.475673 -3.001079 2.477081
O -5.307899 -2.984655 2.046229
O -3.451433 -3.253108 0.814397
N 0.205048 1.288968 -1.675174
N -1.646272 0.109368 -2.387088
N -0.368041 1.401338 0.774829
N -2.502650 0.318312 1.288429
N -3.891116 -0.659932 -0.397024
C 1.805249 2.968545 -0.657239
C 2.710693 2.252033 0.388959
C 1.551553 1.893024 -1.755963
C 3.037782 0.864157 -0.202437
C 2.407251 -0.318188 0.541298
C -0.577852 1.047635 -0.537410
C -0.497934 0.668093 -2.770572
C -1.734101 0.324831 -1.000017
C -2.713573 -0.034169 -0.026767
C -1.365727 1.011082 1.613309
C -4.810080 -1.189778 0.617135
C -4.389334 -2.560460 1.116108
H 0.874649 3.404008 -0.230570
H 2.253737 2.212288 1.397888
H 1.733815 2.265302 -2.794038
H 4.141350 0.716765 -0.328548
H 1.922062 -1.009892 -0.180336
H 1.692135 -0.017806 1.333281
H 3.455367 3.888917 -1.301847
H 3.905529 3.714613 1.043879
H -0.097163 0.688142 -3.776481
H -1.250512 1.269240 2.681332
H -3.926081 -1.091421 -1.325689
H -5.844251 -1.238111 0.194741
H -4.871818 -0.490669 1.499962
H 1.157555 -2.943340 2.263260
H 3.333710 -3.953422 0.033476
H -5.085365 -3.875441 2.432407


%chk=000196487-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196487

0 1
P 4.916624 -1.241889 2.479362
O 2.102022 0.330222 -1.603883
O 2.511649 3.506101 -1.526893
O 3.525855 2.730048 0.766811
O 4.211174 -0.145753 1.381136
O 3.527939 -2.136960 2.920300
O 5.721098 -2.451922 1.534763
O 5.803070 -0.530888 3.576469
O -7.442910 -2.094071 0.999102
O -6.845446 -1.316470 -1.111818
N -0.189425 1.049943 -1.645126
N -2.323603 0.503215 -2.306161
N -0.330138 0.342479 0.750007
N -2.550518 -0.554969 1.313152
N -4.305345 -0.710597 -0.266118
C 1.658255 2.584644 -0.782339
C 2.496351 1.819374 0.270564
C 1.201276 1.490368 -1.782929
C 3.085618 0.638327 -0.540890
C 3.274649 -0.619160 0.304454
C -0.827576 0.523520 -0.511481
C -1.136384 0.999829 -2.687020
C -2.141477 0.199497 -0.943923
C -3.019225 -0.361026 0.031882
C -1.259369 -0.199341 1.592294
C -5.205190 -1.281264 0.728217
C -6.551246 -1.547512 0.081374
H 0.800711 3.119477 -0.334495
H 1.843824 1.447943 1.078418
H 1.321152 1.880201 -2.808996
H 4.043409 0.948496 -1.003098
H 3.743245 -1.445369 -0.257660
H 2.326138 -0.941140 0.764261
H 3.234018 3.784369 -0.896649
H 4.119795 2.220242 1.374780
H -0.895482 1.342193 -3.691538
H -0.932467 -0.373297 2.621897
H -4.661110 -0.568915 -1.217297
H -5.339581 -0.605018 1.594562
H -4.805423 -2.224122 1.149187
H 3.689628 -2.981075 3.410933
H 6.698833 -2.315298 1.443406
H -8.320114 -2.262529 0.559882


