%chk=000193893.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193893

0 1
P -3.033732 0.531663 -1.346655
O -1.959546 -0.390497 -2.333100
O -1.870069 1.083872 -0.234530
O -3.761823 -0.499548 -0.515260
O -3.561028 1.614695 -2.194395
N -1.493461 -2.562667 0.518425
C -1.802360 -2.411095 -0.966173
C -0.051506 -2.984909 0.704945
C -2.401592 -3.646255 1.070626
C -1.749088 -1.297846 1.289436
C -1.061918 -1.255352 -1.682771
C 2.392931 1.283672 0.201389
C 1.085457 1.459559 -0.578799
C 3.376168 0.373674 -0.547216
C 0.088420 2.353946 0.165765
C 4.666613 0.159416 0.254660
C -1.283675 2.367401 -0.519513
C 5.652630 -0.747174 -0.495493
C 6.936388 -0.967197 0.301482
H -2.922300 -2.187201 -1.067381
H -1.622157 -3.370429 -1.484094
H 0.637435 -2.206201 0.324823
H 0.173492 -3.918437 0.164049
H 0.191938 -3.137765 1.769750
H -2.278517 -4.599861 0.534136
H -3.465248 -3.336684 0.964924
H -2.221153 -3.823449 2.142822
H -2.787738 -0.886183 1.033848
H -1.090478 -0.456851 0.975521
H -1.674125 -1.431373 2.370853
H -0.452048 -1.659588 -2.518011
H -0.393016 -0.676100 -0.996144
H 2.183112 0.872395 1.206535
H 2.858739 2.273389 0.377484
H 0.608653 0.468616 -0.765918
H 1.290734 1.881151 -1.582114
H 3.616655 0.817611 -1.533772
H 2.901387 -0.600147 -0.767172
H 0.475361 3.387816 0.237038
H -0.040555 1.999023 1.207281
H 4.432450 -0.276385 1.244075
H 5.144428 1.136201 0.465472
H -1.207205 2.543511 -1.610127
H -1.945052 3.137002 -0.075122
H 5.897313 -0.301162 -1.480023
H 5.177774 -1.722343 -0.716476
H 6.737508 -1.440464 1.269257
H 7.454003 -0.021435 0.500742
H 7.635202 -1.612317 -0.242976


%chk=000193893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193893

0 1
P -3.098764 0.646595 -1.174017
O -2.226397 -0.476587 -2.322013
O -1.676437 1.157778 -0.220613
O -3.933656 -0.309611 -0.161463
O -3.691495 1.832289 -2.052627
N -1.961307 -2.932317 0.462320
C -2.339444 -2.586198 -1.010830
C -0.662772 -3.718365 0.488595
C -3.099214 -3.779486 1.019309
C -1.837986 -1.683529 1.349817
C -1.434280 -1.533506 -1.711534
C 2.724125 1.552035 0.161954
C 1.328872 1.481028 -0.497122
C 3.719943 0.518655 -0.412351
C 0.328310 2.513732 0.065525
C 5.119088 0.576054 0.241269
C -1.056715 2.451606 -0.589180
C 6.111861 -0.452496 -0.347597
C 7.505500 -0.396062 0.314708
H -3.358676 -2.161342 -0.955497
H -2.336431 -3.558884 -1.535522
H 0.128698 -3.111210 0.024385
H -0.791562 -4.656245 -0.075264
H -0.392957 -3.940580 1.533238
H -3.267385 -4.643897 0.357749
H -4.000563 -3.149164 1.053514
H -2.836293 -4.123180 2.032486
H -2.736890 -1.057507 1.167504
H -0.956030 -1.097132 1.055920
H -1.743855 -2.026844 2.393485
H -0.884561 -1.999543 -2.547631
H -0.689851 -1.102187 -1.008340
H 2.623696 1.399108 1.257384
H 3.140966 2.572552 0.030150
H 0.905655 0.464779 -0.361445
H 1.430078 1.631170 -1.592221
H 3.820281 0.678793 -1.506265
H 3.300601 -0.503087 -0.287494
H 0.730008 3.537929 -0.084663
H 0.213070 2.373186 1.158921
H 5.022718 0.408044 1.334703
H 5.537723 1.597114 0.121248
H -0.982369 2.536051 -1.691793
H -1.705459 3.272424 -0.228403
H 6.211646 -0.277265 -1.438304
H 5.689072 -1.472490 -0.235135
H 7.436600 -0.598184 1.400471
H 7.962881 0.603590 0.189801
H 8.195359 -1.139916 -0.125031


