%chk=000192037.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192037

0 1
P 3.708688 -2.409229 -0.029686
P 1.303645 2.295783 -0.116968
P 4.619338 0.486002 0.391867
P -0.957498 4.341712 -0.673488
P -2.010939 2.966838 1.623580
O -0.437540 -1.566999 1.354863
O 2.212105 -2.889525 0.316409
O 0.953527 0.932840 -0.902661
O 3.602571 -0.799889 0.395102
O 3.667844 -2.280804 -1.662359
O 4.824808 -3.097372 0.605430
O -2.487973 -4.468315 -0.813840
O -0.150616 3.075095 0.106500
O 1.444980 1.992307 1.489981
O 2.273472 3.151468 -0.852610
O 4.920590 0.610508 1.994165
O 3.539679 1.696106 0.295203
O 5.712395 0.427438 -0.573493
O -2.113997 4.184078 0.454304
O -1.529712 3.534590 -1.965723
O -0.340234 5.627596 -0.925010
O -3.247660 3.556217 2.503106
O -0.762083 3.448668 2.544517
O -2.156219 1.571586 1.203896
N -2.356878 -2.436684 0.260566
N -4.337480 -3.086767 -1.027030
N -6.132733 -1.614658 -1.234196
C 1.081529 -2.255362 -0.363570
C 0.592349 -1.047868 0.473836
C -0.020635 -3.309212 -0.234541
C -1.005148 -2.779394 0.820235
C -0.065639 0.043810 -0.381859
C -2.968702 -1.242124 0.614318
C -3.076582 -3.433410 -0.583550
C -4.223249 -0.939071 0.150049
C -4.892843 -1.891265 -0.693724
H 1.351793 -1.999872 -1.410845
H 1.362474 -0.648360 1.173655
H 0.408304 -4.284911 0.091530
H -0.502638 -3.543584 -1.207146
H -1.136472 -3.441222 1.709045
H -0.860457 0.578748 0.194351
H -0.526950 -0.348097 -1.312359
H -2.412763 -0.543008 1.273385
H -4.683842 0.009365 0.409267
H 4.525056 -2.168944 -2.155360
H 2.388364 1.946433 1.868895
H -6.669239 -0.829237 -0.913937
H -6.618577 -2.325623 -1.763761
H 5.399191 -0.134900 2.446981
H 3.743763 2.504574 -0.422743
H -1.395228 3.936814 -2.868464
H -3.210023 4.524672 2.746942
H 0.116085 2.938462 2.481743


%chk=000192037-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192037

0 1
P 3.679968 -2.440559 0.415596
P 1.408656 2.406382 -0.513245
P 4.952106 0.342768 0.697341
P -1.024392 4.661071 -0.806870
P -1.907092 3.188015 1.826841
O -0.629495 -1.574466 1.235290
O 2.039493 -2.858948 0.428863
O 0.919983 0.910908 -1.135935
O 3.627777 -0.728696 1.001965
O 4.012457 -2.211407 -1.242180
O 4.633674 -3.326442 1.300817
O -2.499698 -4.747154 -0.677093
O 0.021313 3.338055 -0.452366
O 1.560830 2.266559 1.210103
O 2.740532 2.941027 -1.198210
O 5.800374 0.508892 2.155255
O 4.147068 1.828269 0.719648
O 5.739407 -0.093117 -0.620009
O -1.961046 4.490241 0.601390
O -1.933061 3.947837 -2.063840
O -0.385078 6.070148 -1.090919
O -2.949099 3.878749 2.957249
O -0.403122 3.360178 2.552902
O -2.363594 1.779820 1.276120
N -2.540120 -2.551603 0.123047
N -4.503265 -3.528281 -0.919763
N -6.463554 -2.300309 -1.096824
C 1.025965 -2.129940 -0.405540
C 0.429757 -0.963684 0.402535
C -0.155201 -3.098128 -0.595871
C -1.128950 -2.786275 0.576532
C -0.196517 0.116860 -0.502334
C -3.234990 -1.395924 0.417214
C -3.189416 -3.694101 -0.523252
C -4.554768 -1.256651 0.030366
C -5.159063 -2.371887 -0.664820
H 1.503685 -1.809968 -1.347586
H 1.155747 -0.510260 1.095416
H 0.172980 -4.145913 -0.578416
H -0.645947 -2.925618 -1.568073
H -1.144658 -3.593422 1.326240
H -0.873254 0.769498 0.078083
H -0.740143 -0.297549 -1.366983
H -2.703553 -0.618123 0.970989
H -5.098033 -0.338711 0.260168
H 4.791686 -1.588288 -1.406711
H 2.520299 2.043709 1.460645
H -7.036913 -1.476161 -0.940449
H -6.853706 -3.115966 -1.566521
H 6.282811 -0.302300 2.464363
H 3.989099 2.326422 -0.163631
H -2.221322 4.579307 -2.773127
H -2.606092 4.680221 3.430206
H 0.411479 2.910913 2.110182


