%chk=000189155.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189155

0 1
P -2.733652 0.721468 -1.531076
P -4.348625 2.358115 0.483762
P -4.009148 -0.259668 2.189575
O 0.950991 -1.328125 0.880143
O -0.457140 0.918544 2.744020
O 1.989500 0.843346 2.977571
O -1.185428 0.914400 -1.021330
O 3.946194 1.474423 0.126226
O -3.415655 2.040602 -0.846315
O -2.690849 1.290046 -3.051136
O -3.316470 -0.614093 -1.332511
O -3.744651 1.245571 1.473109
O -5.733907 1.673200 -0.041145
O -4.353185 3.746584 0.896274
O -3.148114 -1.150802 1.137849
O -2.918839 -0.069126 3.355564
O -5.392605 -0.579639 2.494822
N 2.908672 -0.582574 -0.190030
N 4.526289 0.240125 -1.746450
N 5.212255 -0.842997 -3.635201
C 1.677657 0.848171 1.580625
C 0.123437 0.853275 1.444764
C 2.136506 -0.556717 1.103465
C -0.215298 -0.466887 0.722280
C -0.431172 -0.299327 -0.792269
C 3.810768 0.465560 -0.538550
C 2.790536 -1.768677 -0.972099
C 3.487283 -1.954224 -2.116695
C 4.403831 -0.944648 -2.574176
C 5.481524 1.079280 -2.383539
C 5.876960 0.398736 -3.522037
H 2.162680 1.708095 1.069135
H -0.291157 1.750072 0.926196
H 2.706544 -1.116712 1.889539
H -1.035710 -1.048258 1.213310
H -0.908027 -1.203282 -1.223413
H 0.525501 -0.105349 -1.322707
H 0.097497 0.398521 3.402707
H 2.198329 1.760064 3.281352
H 2.084311 -2.516545 -0.578115
H 3.393792 -2.858638 -2.723480
H 5.767338 2.032094 -1.975133
H 6.588602 0.696834 -4.276567
H -2.683885 2.287967 -3.160617
H -6.606404 2.026889 0.262788
H -3.566663 -1.428705 0.236872
H -2.048214 0.444310 3.070244


%chk=000189155-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189155

0 1
P -3.648791 0.267025 -1.495585
P -4.466443 2.456617 0.568090
P -3.741238 0.101367 2.559040
O 0.731039 -1.251372 0.125599
O -0.290830 0.482140 2.488453
O 1.905609 1.598512 1.993066
O -2.024294 0.829656 -1.416279
O 4.218864 0.929313 0.863583
O -4.533247 1.641884 -1.024777
O -4.084353 0.181628 -3.130582
O -3.882911 -1.124907 -0.757402
O -3.367050 1.300158 1.275421
O -5.953532 2.144243 1.269551
O -3.971675 3.937696 0.413760
O -3.413841 -1.327625 1.742193
O -2.509563 0.294501 3.630648
O -5.234815 0.402625 3.046008
N 2.949970 -0.520189 -0.492728
N 5.136357 0.069212 -1.120877
N 6.213254 -0.652616 -3.006636
C 1.343527 1.008924 0.794893
C -0.171015 0.799101 1.049010
C 1.864553 -0.448969 0.549169
C -0.525489 -0.427293 0.197714
C -0.888518 -0.118194 -1.276172
C 4.107173 0.204509 -0.180460
C 2.827242 -1.347999 -1.626037
C 3.851322 -1.464295 -2.539046
C 5.061988 -0.737882 -2.311405
C 6.404670 0.668718 -1.107583
C 7.037206 0.210961 -2.265205
H 1.513980 1.641687 -0.096823
H -0.792993 1.676547 0.808601
H 2.275331 -0.861270 1.491046
H -1.288022 -1.055126 0.685197
H -1.101601 -1.069551 -1.796110
H -0.061447 0.398419 -1.791627
H 0.510889 0.913717 2.922199
H 2.907154 1.543429 1.883577
H 1.882538 -1.885720 -1.696002
H 3.760408 -2.104389 -3.416089
H 6.712828 1.331588 -0.305598
H 8.039828 0.452518 -2.610577
H -4.532561 0.997109 -3.478359
H -5.913361 1.452417 2.062232
H -3.714693 -1.373176 0.742843
H -1.531250 0.355651 3.187670


