%chk=000219231.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219231

0 1
P -0.051523 -0.093698 -0.144035
O -0.980905 -1.173076 0.717848
O -0.685732 1.280548 0.557952
O -0.092070 -0.172979 -1.611650
N 1.466714 -0.280354 0.633149
C 2.437023 -1.217506 -0.011563
C 3.858967 -0.752879 0.373507
C 2.204370 -2.681440 0.427420
C 4.910776 -1.675379 -0.254196
C 3.262345 -3.598597 -0.199529
C 4.684000 -3.138314 0.151263
C -2.325175 -1.286977 0.359577
C -0.221594 2.511204 0.099178
C -2.717763 -2.499739 -0.220949
C -0.184986 2.853010 -1.258243
C -3.232963 -0.268629 0.676004
C 0.112374 3.418811 1.115699
C -4.075281 -2.689410 -0.489887
C 0.209068 4.150805 -1.595061
C -4.583558 -0.484973 0.393218
C 0.495356 4.709609 0.748947
C -5.004832 -1.687897 -0.185875
C 0.547344 5.076000 -0.601460
H 2.328824 -1.145082 -1.130198
H 3.976305 -0.737539 1.473029
H 4.011802 0.291027 0.037717
H 1.193778 -3.024951 0.136199
H 2.242253 -2.762369 1.530019
H 5.922817 -1.350496 0.052400
H 4.883022 -1.582303 -1.357495
H 3.134903 -3.619954 -1.299753
H 3.106292 -4.638281 0.144963
H 5.424903 -3.788004 -0.350837
H 4.858814 -3.257148 1.237767
H 1.493379 -0.311214 1.667525
H -1.978228 -3.262481 -0.450473
H -0.452456 2.134459 -2.039162
H -2.890540 0.663723 1.129052
H 0.060892 3.109451 2.156369
H -4.409377 -3.622696 -0.942331
H 0.248734 4.441210 -2.645274
H -5.312453 0.290943 0.626654
H 0.756737 5.434073 1.519677
H -6.059488 -1.844208 -0.402824
H 0.850535 6.083200 -0.878536


%chk=000219231-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219231

0 1
P -0.143911 -0.241828 -0.177057
O -1.260166 -1.286730 0.661074
O -0.679272 1.266769 0.552951
O -0.128120 -0.328767 -1.763379
N 1.350150 -0.545507 0.575304
C 2.443729 -1.317716 -0.070468
C 3.806564 -0.676926 0.281423
C 2.409461 -2.815969 0.323886
C 4.974188 -1.457781 -0.370394
C 3.577045 -3.592813 -0.331766
C 4.943079 -2.955524 0.017414
C -2.652944 -1.374794 0.359457
C -0.121995 2.528067 0.184537
C -3.191361 -2.677800 0.296121
C 0.307757 2.824010 -1.129581
C -3.464999 -0.230859 0.196529
C -0.086572 3.498780 1.209397
C -4.576016 -2.837177 0.067607
C 0.794614 4.122425 -1.404489
C -4.846005 -0.408498 -0.044493
C 0.391622 4.793845 0.912108
C -5.406557 -1.705295 -0.108284
C 0.837783 5.109690 -0.393083
H 2.284509 -1.232739 -1.163777
H 3.934540 -0.684107 1.385292
H 3.808973 0.380529 -0.041568
H 1.435327 -3.251963 0.031785
H 2.483898 -2.896035 1.428731
H 5.938248 -1.002069 -0.073814
H 4.902968 -1.365079 -1.473626
H 3.443609 -3.591662 -1.433242
H 3.551111 -4.651341 -0.009560
H 5.760416 -3.498240 -0.495137
H 5.124763 -3.055246 1.107731
H 1.417808 -0.388353 1.584122
H -2.527283 -3.537503 0.426009
H 0.253319 2.061658 -1.913974
H -3.024220 0.768179 0.268277
H -0.436400 3.231386 2.211174
H -5.001635 -3.845577 0.019534
H 1.130640 4.361624 -2.419539
H -5.483943 0.472320 -0.177021
H 0.417065 5.552809 1.701849
H -6.478498 -1.833135 -0.292921
H 1.210115 6.114444 -0.619341


