%chk=000193850.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193850

0 1
P 0.469011 -0.633124 1.006977
P 1.010731 2.444113 0.871597
O -3.010622 -0.923680 0.720759
O 1.938954 -1.259450 0.624216
O 5.057355 -1.994446 -1.586936
O -0.169957 -0.499664 -0.502947
O -4.480870 -0.984839 -2.187234
O -5.942385 -0.459241 -0.223454
O 3.858335 0.261339 0.148022
O 1.897015 -3.798439 -1.144524
O 3.651373 -3.234021 -2.932669
O 0.881905 0.884785 1.424325
O -0.253515 -1.299963 2.080649
O 5.302909 1.313540 -2.722483
O -4.653628 2.835956 1.111861
O 6.717448 0.175222 -1.397441
O -0.862373 3.854512 3.437809
O 1.569958 3.163351 2.201272
O 2.327277 2.344757 -0.058942
O -0.249145 2.866589 0.248857
N -3.381264 1.053124 1.897030
N -2.814806 3.352431 2.385507
C -2.604182 -0.676196 -0.653440
C -3.842347 -0.045184 -1.348784
C -4.788274 0.387258 -0.183687
C -4.063723 -0.041131 1.116682
C 2.324829 -1.441654 -0.759082
C 3.324265 -0.293756 -1.052342
C 2.897861 -2.881679 -0.733642
C -1.387889 0.253024 -0.699101
C 4.472995 -0.737348 -1.984635
C 4.154939 -3.088758 -1.608522
C -3.689597 2.446218 1.744958
C -2.311736 0.638883 2.722968
C 5.648866 0.233589 -1.936697
C -1.489876 1.541882 3.307972
C -1.634030 2.967194 3.100600
H -2.362931 -1.696713 -1.031413
H -3.590034 0.790257 -2.036864
H -5.091066 1.457671 -0.233409
H -4.710663 -0.642199 1.804738
H 1.457969 -1.399032 -1.466027
H 2.799759 0.591134 -1.512835
H 3.097632 -3.178920 0.332128
H -1.475856 1.113086 -0.001150
H -1.228053 0.661387 -1.723331
H 4.098395 -0.843740 -3.036123
H 4.795856 -3.944968 -1.306290
H -5.001375 -1.640582 -1.639692
H -6.651847 -0.030048 -0.759146
H -2.168678 -0.459022 2.833997
H 3.923971 -0.418380 0.868828
H 1.786660 -3.786655 -2.132442
H 4.356369 -3.500154 -3.562247
H -2.989449 4.357489 2.226228
H -0.662592 1.217875 3.948263
H 5.997784 2.026819 -2.729191
H 0.886699 3.547944 2.874451
H 3.165442 1.919455 0.373326


%chk=000193850-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193850

0 1
P 0.529365 -0.940803 1.148806
P 1.281305 2.310471 1.190100
O -3.091540 -0.841995 0.588307
O 1.950897 -1.871418 0.797221
O 5.109729 -1.738864 -1.957454
O -0.157232 -0.872234 -0.438761
O -4.154198 0.177697 -2.689850
O -5.748391 -0.518343 -0.706307
O 3.792120 0.065970 0.130791
O 3.071327 -4.393036 -0.247075
O 3.704026 -3.533660 -2.772830
O 1.295107 0.552663 1.466494
O -0.321299 -1.513705 2.345987
O 3.820809 1.602178 -2.562586
O -4.757398 3.047778 1.103751
O 6.001641 0.775104 -2.657819
O -0.831457 3.934928 3.428879
O 1.457319 2.979462 2.710054
O 2.787926 2.431992 0.483553
O -0.011692 2.733194 0.360250
N -3.424461 1.204772 1.797535
N -2.851638 3.425883 2.388761
C -2.637613 -0.512731 -0.798068
C -3.670501 0.518423 -1.369840
C -4.814810 0.547886 -0.307896
C -4.117284 0.105594 1.000570
C 2.537342 -1.976254 -0.564491
C 3.095864 -0.592951 -0.997152
C 3.627356 -3.063625 -0.432086
C -1.231287 0.086370 -0.842189
C 4.073341 -0.727928 -2.183696
C 4.549317 -3.048037 -1.675622
C -3.760502 2.581773 1.720414
C -2.403065 0.758962 2.640267
C 4.788884 0.592625 -2.483438
C -1.558476 1.619019 3.296985
C -1.688535 3.044399 3.079169
H -2.680186 -1.459512 -1.360991
H -3.219847 1.522357 -1.460053
H -5.310140 1.526045 -0.234983
H -4.802052 -0.433490 1.675537
H 1.763514 -2.288315 -1.287350
H 2.260398 0.059938 -1.310795
H 4.235398 -2.866604 0.465090
H -1.136326 1.027772 -0.267429
H -0.991480 0.307074 -1.898181
H 3.470328 -1.004619 -3.074504
H 5.428234 -3.696146 -1.519956
H -4.907305 -0.462831 -2.549294
H -6.676494 -0.255738 -0.495572
H -2.254013 -0.322927 2.686100
H 3.507734 -0.381109 0.975306
H 2.721160 -4.690031 -1.129516
H 4.263515 -3.795018 -3.545755
H -3.002358 4.430020 2.241284
H -0.749672 1.235460 3.918484
H 4.246040 2.488804 -2.709151
H 0.607390 3.439034 3.119717
H 3.293662 1.536176 0.298580


