%chk=000189742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189742

0 1
P 3.502737 -0.967998 -0.612412
O 0.019029 2.103578 -0.703751
O -0.439596 5.027455 0.598282
O 1.947797 4.522325 0.069209
O 2.978561 0.580933 -0.537942
O 3.637172 -1.365467 0.985214
O 4.679489 -1.151848 -1.457387
O -3.199913 -2.545279 2.411765
N -1.421524 1.567540 1.067268
N -1.932273 -0.149669 -0.720622
N -2.097067 0.318527 2.873396
N 2.067139 -1.878723 -1.033239
N -2.899542 -2.197352 0.165355
N -2.762438 -1.852881 -2.192909
N 0.245701 -2.589863 -2.187915
C -0.113609 3.734643 1.057500
C 1.387792 3.412435 0.774471
C -0.905257 2.672343 0.238234
C 1.391023 2.250133 -0.241554
C 1.859036 0.904817 0.328942
C -1.876422 0.328604 0.585099
C -1.585373 1.491601 2.501637
C -2.288292 -0.428118 1.709858
C -2.841686 -1.788226 1.549671
C -2.531100 -1.456388 -0.856132
C 1.284001 -2.670204 -0.149902
C 1.374235 -1.871521 -2.277615
C 0.184929 -3.098473 -0.875226
H -0.375373 3.763212 2.137087
H 1.970311 3.211171 1.693810
H -1.717214 3.110003 -0.395793
H 1.961612 2.511186 -1.172883
H 1.044496 0.152708 0.266116
H 2.241239 0.962392 1.366360
H 0.014599 5.213137 -0.276802
H 2.156657 5.256140 0.697607
H -1.338457 2.321213 3.144323
H -1.623201 0.416463 -1.507900
H 4.499864 -1.759863 1.285758
H 1.567185 -2.858184 0.873556
H 1.743677 -1.363590 -3.160324
H -1.965853 -1.768302 -2.828136
H -3.177541 -2.786722 -2.269176
H -0.637849 -3.726091 -0.559597


%chk=000189742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189742

0 1
P 4.072227 -0.762941 -1.170251
O 0.235848 1.207335 0.014039
O -0.467740 4.446871 1.656460
O 1.262828 4.296465 -0.337575
O 3.767580 0.682409 -0.268109
O 4.808929 -1.854627 -0.067997
O 4.803220 -0.460675 -2.535332
O -5.588787 -1.156523 1.841779
N -1.843172 1.564648 1.102734
N -2.105371 -0.462097 -0.344238
N -3.730365 1.298220 2.374000
N 2.502406 -1.601367 -1.243792
N -4.095001 -1.768808 0.130168
N -2.590056 -2.421268 -1.557648
N 0.355880 -1.994607 -1.827969
C 0.103210 3.149489 1.399214
C 1.460878 3.215931 0.641732
C -0.733263 2.241887 0.454400
C 1.594118 1.829253 -0.042564
C 2.578032 0.841119 0.615524
C -2.484074 0.409483 0.658960
C -2.665137 2.072845 2.155992
C -3.637093 0.241263 1.441371
C -4.532480 -0.911919 1.197633
C -2.979754 -1.555528 -0.556608
C 2.032303 -2.625591 -0.383308
C 1.443068 -1.261568 -2.101803
C 0.715855 -2.848763 -0.758974
H 0.216834 2.644848 2.373710
H 2.308455 3.444360 1.313263
H -1.075747 2.815076 -0.432422
H 1.881281 1.966874 -1.102545
H 2.061791 -0.120460 0.784068
H 2.981003 1.207552 1.574299
H -0.234558 5.025751 0.879171
H 2.126614 4.629339 -0.681710
H -2.427441 3.006830 2.658962
H -1.199446 -0.390980 -0.817774
H 5.797944 -1.818447 -0.028042
H 2.676276 -3.079635 0.362966
H 1.533165 -0.515049 -2.887099
H -1.683075 -2.320524 -2.030383
H -3.218258 -3.196956 -1.750917
H -0.000228 -3.551716 -0.340085


