%chk=000268579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268579

0 1
P 6.794529 0.258070 -0.630393
O 6.229491 0.445839 0.904260
O 8.297831 -0.422778 -0.416287
O 6.754379 1.525147 -1.386132
O -4.112665 3.850242 -0.157282
O -8.363739 -0.858083 0.232344
N 0.294127 -0.740093 -0.695182
N -5.932134 0.167142 -0.018379
N -2.491351 1.475049 -0.372889
N -3.876208 -1.003650 -0.263323
N -6.008302 2.587276 0.029072
N -8.019565 1.407281 0.228818
C 5.951159 -1.229324 -1.393385
C 4.483457 -1.065218 -1.214086
C 3.779531 -0.073201 -1.920873
C 3.782090 -1.920097 -0.345244
C 2.405120 0.078009 -1.746703
C 2.405751 -1.785450 -0.173574
C 1.711833 -0.776311 -0.868408
C 6.397477 -0.668075 1.826779
C 9.410035 0.506250 -0.320561
C 6.436006 -0.006961 3.193058
C 9.514550 1.083586 1.079702
C -4.537459 0.203431 -0.170478
C -3.837584 1.447086 -0.226457
C -1.839523 0.294843 -0.463789
C -0.366303 0.371390 -0.623388
C -6.604244 1.413101 0.074941
C -2.542286 -0.953893 -0.408838
C -4.590630 2.751264 -0.122985
C -8.850917 0.252353 0.301568
C -10.302767 0.556825 0.463257
H 6.345437 -2.168665 -0.958659
H 6.223604 -1.282730 -2.471277
H 4.307006 0.597261 -2.605173
H 4.311691 -2.705141 0.191658
H 1.872143 0.849438 -2.301633
H 1.861694 -2.454924 0.493274
H 7.326166 -1.232138 1.614314
H 5.507685 -1.317352 1.708136
H 9.324492 1.292759 -1.097435
H 10.264355 -0.159236 -0.560422
H 6.363107 -0.740504 4.002309
H 5.600922 0.703495 3.299125
H 7.354388 0.576610 3.333908
H 10.473787 1.595995 1.223131
H 9.438819 0.298654 1.842975
H 8.725201 1.819379 1.293131
H 0.037714 1.399826 -0.658095
H -6.431799 -0.747106 0.021040
H -1.999894 -1.912259 -0.485771
H -8.436186 2.352474 0.288514
H -10.885235 -0.382413 0.511530
H -10.522543 1.111402 1.389176
H -10.713447 1.138923 -0.376818


%chk=000268579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268579

0 1
P 6.885307 0.298315 -0.529311
O 6.512209 0.470724 1.162203
O 8.484167 -0.399305 -0.595400
O 6.716235 1.687100 -1.287333
O -4.189521 3.878673 -0.212694
O -8.504609 -0.895575 0.090667
N 0.168213 -0.837899 -0.544707
N -6.082130 0.215704 -0.080028
N -2.625026 1.454204 -0.329080
N -4.075726 -1.015211 -0.231561
N -6.165614 2.629826 -0.065592
N -8.142484 1.409846 0.076968
C 5.906196 -1.168212 -1.196680
C 4.408994 -1.037006 -1.009709
C 3.704745 0.083735 -1.529108
C 3.678468 -2.057950 -0.349702
C 2.310770 0.186982 -1.380242
C 2.279411 -1.971690 -0.218637
C 1.578336 -0.838925 -0.712228
C 6.697237 -0.683374 2.086168
C 9.644916 0.530561 -0.737183
C 6.514834 -0.130987 3.497514
C 10.041344 1.159867 0.601839
C -4.695569 0.205488 -0.182026
C -3.984197 1.448638 -0.230350
C -1.989364 0.242512 -0.380738
C -0.523344 0.274544 -0.488934
C -6.734666 1.436413 -0.027259
C -2.726550 -0.986642 -0.331943
C -4.744989 2.753781 -0.172049
C -8.974085 0.283978 0.131035
C -10.456505 0.587739 0.239680
H 6.310278 -2.074878 -0.717179
H 6.187056 -1.200255 -2.265378
H 4.260238 0.878936 -2.040121
H 4.204719 -2.936809 0.042143
H 1.784838 1.048109 -1.808055
H 1.703937 -2.764842 0.268611
H 7.706885 -1.114609 1.940803
H 5.934109 -1.455440 1.859181
H 9.388694 1.305735 -1.484104
H 10.441074 -0.117800 -1.139048
H 6.611512 -0.944506 4.240613
H 5.517620 0.327640 3.605246
H 7.275861 0.637719 3.713475
H 10.947011 1.780997 0.468323
H 10.263756 0.381845 1.353190
H 9.235659 1.808107 0.988629
H -0.087847 1.291939 -0.491767
H -6.646349 -0.656269 -0.042318
H -2.195169 -1.940660 -0.376053
H -8.545221 2.351380 0.111152
H -11.010926 -0.360335 0.275936
H -10.677489 1.167968 1.154072
H -10.806452 1.174971 -0.628829


