%chk=000187953.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187953

0 1
P -0.152518 2.438420 1.034213
O -1.702743 2.164787 0.600323
O 0.662245 1.156381 0.255329
O 0.021336 2.483174 2.495328
O 1.270716 -1.701595 -2.404609
O 0.462343 0.262543 -2.030754
N 0.873609 -0.824462 -1.651414
C -3.148620 0.934692 -0.794021
C -2.671285 -0.513954 -0.944377
C -1.992943 1.931353 -0.817157
C -3.848753 -1.498142 -0.946588
C -3.373133 -2.940947 -1.100095
C 0.542141 3.769797 -0.032723
C 0.703376 -0.100788 0.752993
C 0.871091 -1.117749 -0.219192
C 0.670665 -0.423837 2.124275
C 1.040760 -2.454922 0.205814
C 0.818486 -1.748321 2.511006
C 1.008405 -2.766603 1.555508
H -3.698494 1.054566 0.167100
H -3.874929 1.185772 -1.591128
H -1.974970 -0.763606 -0.119405
H -2.087195 -0.624131 -1.880100
H -2.298339 2.912809 -1.224272
H -1.106812 1.542829 -1.363092
H -4.429438 -1.393494 -0.008909
H -4.549689 -1.247265 -1.766793
H -4.219015 -3.637688 -1.106804
H -2.710613 -3.237863 -0.279346
H -2.821991 -3.087436 -2.036589
H 0.925286 3.363705 -0.985037
H -0.202120 4.540803 -0.270496
H 1.388745 4.272635 0.460367
H 0.539247 0.362060 2.883156
H 1.194310 -3.231728 -0.553010
H 0.793514 -2.006383 3.573216
H 1.132625 -3.797711 1.883683


%chk=000187953-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187953

0 1
P -0.250593 2.387308 1.096171
O -1.786483 1.994204 0.424141
O 0.852700 1.205931 0.334453
O -0.292284 2.368663 2.682419
O 2.349969 -1.398544 -2.432379
O 0.792453 0.247062 -2.223626
N 1.509556 -0.709266 -1.731425
C -3.193314 0.937737 -1.255737
C -2.959959 -0.515325 -0.788247
C -1.976448 1.843955 -1.061557
C -4.203189 -1.411940 -0.981803
C -3.967074 -2.866469 -0.521082
C 0.431033 3.886625 0.249850
C 0.951311 -0.140438 0.683102
C 1.342140 -1.082888 -0.312526
C 0.774605 -0.591287 2.016534
C 1.583882 -2.436273 0.025290
C 0.979318 -1.947854 2.336432
C 1.391895 -2.874119 1.346806
H -4.056798 1.376322 -0.718630
H -3.446695 0.949668 -2.336513
H -2.672561 -0.507640 0.281021
H -2.103843 -0.946981 -1.348267
H -2.154090 2.854176 -1.477686
H -1.067653 1.398955 -1.508673
H -5.055229 -0.978487 -0.419208
H -4.499604 -1.404894 -2.051056
H -4.870057 -3.488247 -0.663181
H -3.695866 -2.901893 0.550860
H -3.141615 -3.333371 -1.091137
H 0.467417 3.715764 -0.836283
H -0.214264 4.746993 0.485144
H 1.448197 4.068682 0.628176
H 0.485824 0.132493 2.785740
H 1.910911 -3.117675 -0.764961
H 0.829743 -2.279796 3.369212
H 1.561966 -3.923451 1.605026


