%chk=000195952.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195952

0 1
P -0.917042 1.769274 1.603058
P -2.423839 0.537893 -0.823967
P -3.931220 -1.351273 1.100766
O 3.425144 0.278238 0.951911
O 4.763889 3.212853 0.180319
O 2.562103 3.456554 1.385853
O -0.092097 0.356534 1.594889
O -2.015607 1.548263 0.384807
O -1.879892 1.543569 2.877355
O -0.164566 3.016614 1.493677
O -2.785884 -0.791035 0.032748
O -3.902120 1.140976 -1.142815
O -1.460433 0.372422 -1.900307
O -4.089915 0.024766 2.063209
O -5.192168 -1.772803 0.499917
O -4.858874 -2.700484 5.330180
N 4.247237 0.016528 -1.238662
N 4.912846 -1.608481 -2.735431
N 1.998525 0.526265 -2.241840
N 1.523228 -0.820664 -4.227819
N 3.058866 -2.377149 -5.127913
N -3.008836 -2.425975 2.059357
C 3.784620 2.319290 -0.312409
C 2.419935 2.419507 0.417703
C 4.285326 0.867641 -0.035504
C 2.230781 1.078022 1.170077
C 1.041769 0.237002 0.693192
C 3.205790 -0.121598 -2.168026
C 5.254232 -0.937189 -1.635438
C 3.640835 -1.129756 -3.098395
C 2.749415 -1.457185 -4.163279
C 1.210759 0.110406 -3.276800
C -3.768437 -3.010931 3.194022
C -1.614736 -2.016354 2.370462
C -3.975001 -2.070309 4.400544
H 3.710080 2.551711 -1.399738
H 1.592468 2.656768 -0.285091
H 5.307803 0.838163 0.415819
H 2.217162 1.230278 2.276086
H 0.730411 0.447028 -0.351563
H 1.283656 -0.846398 0.773744
H 4.492318 3.594655 1.062280
H 1.667137 3.859998 1.580226
H 6.172083 -1.048133 -1.074101
H 0.200135 0.565943 -3.347439
H 2.401685 -2.598303 -5.859456
H 3.937199 -2.871657 -5.096642
H -2.748633 1.009715 2.724498
H -4.762672 -3.385060 2.837807
H -3.225620 -3.929198 3.524038
H -1.515121 -1.189359 3.094313
H -1.080538 -1.726463 1.440672
H -1.066761 -2.885085 2.779728
H -4.517785 -1.138523 4.137978
H -3.025296 -1.805976 4.895668
H -4.071224 1.547771 -2.033871
H -4.820661 0.654666 1.831046
H -4.414457 -3.447374 5.780660


%chk=000195952-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195952

0 1
P -0.852653 2.753971 1.317052
P -2.549720 1.098321 -0.840604
P -3.876829 -0.534424 1.607624
O 3.421846 0.409104 1.031534
O 4.928810 3.090084 0.098158
O 2.561158 3.865484 0.556142
O -0.048436 1.392138 1.986716
O -1.353915 2.180385 -0.278704
O -2.192511 2.889928 2.282327
O -0.033436 4.091321 1.126299
O -2.660895 0.044848 0.511497
O -4.038980 1.923361 -0.657253
O -2.231186 0.458332 -2.243588
O -3.774025 0.910454 2.619411
O -5.322147 -0.880522 1.070285
O -4.476243 -5.061385 3.691728
N 4.179604 -0.238950 -1.169068
N 4.848297 -1.925497 -2.584384
N 1.812449 0.002430 -1.942005
N 1.283775 -1.551357 -3.774031
N 2.858451 -3.073913 -4.659749
N -3.066529 -1.752325 2.485156
C 3.947024 2.210112 -0.516056
C 2.531960 2.491679 0.081924
C 4.294899 0.761755 -0.096824
C 2.376947 1.452743 1.234418
C 1.052609 0.670254 1.262198
C 3.065012 -0.544855 -1.965450
C 5.208857 -1.105496 -1.584408
C 3.504396 -1.583401 -2.831609
C 2.552432 -2.082520 -3.767731
C 0.984933 -0.560448 -2.880204
C -3.574353 -3.147693 2.414073
C -1.697977 -1.534428 3.013848
C -3.929119 -3.707311 3.812242
H 3.954859 2.329499 -1.615709
H 1.760700 2.336671 -0.694733
H 5.340632 0.737839 0.254605
H 2.562945 1.946209 2.207431
H 0.733517 0.405436 0.239058
H 1.179418 -0.237393 1.872401
H 4.400303 3.872930 0.437359
H 1.621718 4.164256 0.767051
H 6.193066 -1.081308 -1.120403
H -0.040871 -0.179557 -2.912953
H 2.142398 -3.387645 -5.311693
H 3.794521 -3.473336 -4.673326
H -2.824002 2.077813 2.430891
H -4.483797 -3.178135 1.788786
H -2.804806 -3.784428 1.928630
H -1.669555 -1.745989 4.096930
H -1.370510 -0.494892 2.852820
H -0.985976 -2.201707 2.491587
H -4.737725 -3.110357 4.262699
H -3.050653 -3.686518 4.489890
H -4.458543 2.257808 -1.490276
H -4.535855 1.040407 3.235964
H -3.758288 -5.693186 3.434130


