%chk=000190878.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190878

0 1
P -3.285300 0.302907 0.320950
O -4.081693 1.452883 -0.580276
O -3.453391 -1.062332 -0.604018
O -3.854200 0.311613 1.683915
N -1.026348 -0.376107 1.022831
N 1.777288 0.342216 1.431447
C -0.604042 0.144037 2.356107
C 0.035302 -1.253462 0.431054
C 0.745647 0.892916 2.368797
C 1.445889 -1.053128 1.029804
C -1.465729 0.703196 0.097701
C 1.990144 1.238770 0.246344
C 3.219793 0.814422 -0.523186
C 4.427231 0.566688 0.148103
C 3.165213 0.696481 -1.919580
C -3.795038 1.637671 -1.977908
C -4.337731 -2.091600 -0.083846
C 5.567546 0.205977 -0.572536
C 4.311158 0.338706 -2.636633
C 5.512835 0.093057 -1.966266
C -4.409624 0.543471 -2.833759
C -3.760440 -2.767030 1.146029
H -0.558690 -0.740814 3.032173
H -1.409869 0.789280 2.773604
H 0.067820 -1.142979 -0.671719
H -0.302449 -2.297793 0.623477
H 1.197080 0.814759 3.385478
H 0.584085 1.974834 2.190907
H 2.215905 -1.410782 0.311957
H 1.562505 -1.679599 1.943207
H -1.124886 0.571803 -0.944556
H -1.218077 1.736365 0.398210
H 2.159277 2.274011 0.628265
H 1.105437 1.291175 -0.423562
H 4.461715 0.647539 1.235687
H 2.235330 0.883271 -2.450838
H -2.708405 1.743019 -2.145301
H -4.284168 2.619027 -2.163485
H -4.381541 -2.778533 -0.953761
H -5.341578 -1.663728 0.099999
H 6.501832 0.013017 -0.047934
H 4.265635 0.250940 -3.720570
H 6.403052 -0.185262 -2.525786
H -4.384967 0.804310 -3.896762
H -3.896379 -0.422996 -2.711991
H -5.459239 0.373804 -2.555199
H -4.244273 -3.729650 1.339285
H -2.681580 -2.944365 1.037347
H -3.884982 -2.148604 2.052592


%chk=000190878-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190878

0 1
P -3.188669 -0.154612 -0.686445
O -4.300525 1.187502 -0.809327
O -3.733382 -1.175003 -2.022301
O -3.166073 -0.953189 0.708391
N -0.514374 0.785950 -0.252716
N 1.697771 1.008071 1.312451
C -0.758816 1.593499 0.965594
C 0.164806 -0.514683 -0.003772
C 0.608229 1.968179 1.634107
C 1.151410 -0.360978 1.196426
C -1.540231 0.774228 -1.243807
C 2.585113 1.410522 0.191594
C 3.885828 0.610232 0.158892
C 4.567299 0.285776 1.359786
C 4.454875 0.215898 -1.077122
C -5.761104 0.956053 -0.642907
C -3.927547 -2.630894 -1.770905
C 5.796180 -0.408851 1.323446
C 5.687726 -0.476688 -1.117728
C 6.363204 -0.790665 0.083685
C -6.158400 0.834902 0.833343
C -2.705738 -3.426969 -2.239123
H -1.406622 1.036933 1.680145
H -1.307087 2.507315 0.673026
H 0.708243 -0.797324 -0.926695
H -0.570587 -1.319036 0.228889
H 0.460589 2.003298 2.732530
H 0.928697 2.974209 1.309946
H 1.978339 -1.084184 1.094366
H 0.625538 -0.593165 2.141261
H -1.223492 0.239979 -2.155434
H -1.896110 1.787572 -1.491075
H 2.829667 2.480160 0.349287
H 2.085136 1.345347 -0.803020
H 4.108831 0.576540 2.311707
H 3.931912 0.453801 -2.012476
H -6.050593 0.056448 -1.220889
H -6.219490 1.840885 -1.116644
H -4.828494 -2.892890 -2.352705
H -4.122037 -2.794138 -0.693654
H 6.313119 -0.652944 2.258871
H 6.116021 -0.774265 -2.081877
H 7.316987 -1.329869 0.055267
H -7.257356 0.736103 0.920845
H -5.683723 -0.046117 1.297971
H -5.845787 1.733180 1.393510
H -2.903066 -4.512594 -2.154746
H -2.472376 -3.198084 -3.293506
H -1.820740 -3.192035 -1.620663


