%chk=000194302.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194302

0 1
P -2.868418 2.117479 -1.631895
P -2.476538 -1.846849 1.323758
P -4.668565 1.827437 0.729894
P -2.459314 -2.829708 -1.648838
P 0.290748 -2.850818 -1.058306
O 0.723402 1.985581 1.075645
O -1.256043 2.107231 -1.550677
O -2.083492 -0.252964 1.459507
O -3.294345 2.348409 -0.033140
O -3.296323 0.527132 -1.765491
O -3.437447 3.057112 -2.582662
O -1.892733 -2.207801 -0.207699
O -1.425844 -2.677850 2.202426
O -3.907533 -1.986478 1.526445
O -5.575935 3.129807 1.048588
O -4.131237 1.503463 2.203959
O -5.270391 0.828884 -0.198608
O -0.992639 -3.603533 -1.773549
O -2.046450 -1.577676 -2.602066
O -3.697931 -3.547688 -1.792483
O 0.444216 -1.488266 -1.939069
O 1.443006 -3.835952 -1.643531
O 0.438669 -2.606951 0.399077
N 2.727926 0.909567 0.448857
N 3.785696 -0.977565 1.243854
N 4.752092 2.365490 0.152368
N 6.826361 1.235140 0.798006
N 6.899612 -1.000145 1.566252
C -0.533866 1.101133 -0.788243
C -0.558228 1.408337 0.727915
C 0.915779 1.336403 -1.229422
C 1.674747 1.848148 0.002616
C -0.703592 0.154266 1.604046
C 4.097795 1.210699 0.501282
C 2.605720 -0.440800 0.926726
C 4.743118 0.022320 0.992031
C 6.162519 0.071569 1.133927
C 6.099459 2.298796 0.329994
H -0.929992 0.094409 -1.050886
H -1.296170 2.200247 1.007626
H 0.942011 2.091666 -2.048560
H 1.365556 0.418925 -1.664806
H 2.126006 2.870453 -0.106498
H -0.560676 0.406242 2.676196
H 0.016017 -0.647043 1.320670
H 1.632766 -0.926273 1.016805
H -4.288564 0.290499 -1.421867
H 6.681653 3.201056 0.072075
H 6.435445 -1.831017 1.899077
H 7.893560 -0.911902 1.712265
H -0.506644 -2.929959 1.767667
H -6.327057 3.328231 0.412389
H -3.336164 0.850398 2.274934
H -2.688261 -0.773576 -2.709737
H -0.038020 -1.430599 -2.829446
H 2.150637 -4.149716 -1.009997


%chk=000194302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194302

0 1
P -2.236135 2.327561 -1.729033
P -2.507940 -2.097025 1.407385
P -4.483051 2.004566 0.463449
P -3.268282 -2.461281 -1.780433
P -0.417260 -3.607228 -2.047912
O 0.940308 1.523567 1.459726
O -0.675405 1.757683 -1.336482
O -2.266235 -0.407864 1.863929
O -2.943674 2.582314 -0.114682
O -3.150794 0.934533 -2.176392
O -2.253330 3.567299 -2.689104
O -2.684787 -1.764904 -0.307315
O -0.977543 -2.729988 1.504249
O -3.734250 -2.755971 2.132640
O -5.400258 3.310719 0.993244
O -4.141533 1.255702 1.883242
O -5.152459 1.205803 -0.784126
O -2.149039 -3.801630 -1.991886
O -2.526720 -1.342580 -2.818822
O -4.777180 -2.860889 -1.911937
O -0.152738 -2.365170 -3.135073
O 0.155381 -4.965940 -2.853762
O 0.187399 -3.442721 -0.572854
N 3.105921 0.745288 0.777988
N 4.676398 -0.520051 1.877268
N 4.550109 2.631099 0.043511
N 6.886285 2.337084 0.757161
N 7.628984 0.468493 1.997727
C -0.426239 0.645485 -0.354061
C -0.454872 1.181502 1.101343
C 1.032878 0.231594 -0.579791
C 1.830520 1.229768 0.288458
C -0.893909 0.138345 2.155150
C 4.319973 1.446887 0.673024
C 3.387210 -0.422223 1.518052
C 5.273606 0.644221 1.349563
C 6.611168 1.139400 1.377609
C 5.864151 3.002405 0.137780
H -1.158563 -0.158121 -0.533935
H -1.069106 2.094627 1.169127
H 1.314290 0.283021 -1.642178
H 1.180818 -0.807387 -0.234133
H 2.032781 2.176887 -0.243006
H -0.968375 0.608363 3.148382
H -0.193699 -0.710555 2.198944
H 2.618932 -1.146148 1.779228
H -4.172021 0.957925 -1.707415
H 6.133836 3.948144 -0.340901
H 7.445199 -0.415474 2.467443
H 8.563270 0.872730 1.987516
H -0.469299 -3.086341 0.626751
H -5.988410 3.722928 0.308226
H -3.372725 0.520013 1.918972
H -2.788834 -0.291506 -2.658613
H -1.010295 -1.801399 -3.276106
H 0.451648 -5.718159 -2.277735


