%chk=000256622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256622

0 1
P -2.973506 0.838191 1.528978
O 0.146951 -1.808960 -0.763954
O -1.579677 0.618187 0.709553
O -1.038932 0.527626 -2.743058
O -3.397974 -2.330491 -0.712950
O -3.380856 -0.736931 1.833309
O -4.062237 1.162764 0.343672
O 3.217661 -0.453633 -2.254961
O -2.923913 1.751463 2.667693
N 1.755167 -0.085495 -0.514526
N 4.166110 0.302674 -0.273201
N 5.022991 1.081498 1.744312
C -1.637859 -0.205935 -0.486834
C -0.557960 0.400280 -1.420977
C -1.137951 -1.617955 -0.113772
C 0.640531 -0.589051 -1.348088
C -2.033706 -2.744347 -0.664572
C 1.553539 0.296820 0.803482
C 3.137036 -0.101575 -1.101882
C 2.605738 0.700585 1.582668
C 3.929214 0.688745 1.006040
H -2.653035 -0.197293 -0.959389
H -0.296790 1.449474 -1.141939
H -0.951298 -1.722259 0.977111
H 1.043984 -0.892814 -2.353925
H -1.934549 -3.667082 -0.066535
H -1.789599 -2.972990 -1.721966
H -1.293608 -0.345135 -3.126319
H 0.524615 0.277725 1.198788
H -3.741715 -2.162045 0.200044
H 2.450895 1.020069 2.606593
H -3.917835 -0.919157 2.646903
H -4.500303 2.052815 0.335256
H 5.947454 1.057690 1.336519
H 4.937721 1.358040 2.704025


%chk=000256622-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256622

0 1
P -2.978085 0.826256 1.639574
O 0.153053 -1.804960 -1.133080
O -1.600871 0.601828 0.658749
O -1.096077 0.397668 -2.950597
O -3.409695 -2.494315 -0.226919
O -3.346244 -0.815066 2.037524
O -4.290739 1.138302 0.570782
O 3.338514 -0.661368 -2.179601
O -2.754846 1.837404 2.830550
N 1.750037 -0.016467 -0.552678
N 4.152724 0.122043 -0.123753
N 4.933825 0.914492 1.909016
C -1.603962 -0.208841 -0.604944
C -0.570898 0.423843 -1.583781
C -1.076177 -1.639288 -0.311908
C 0.696392 -0.465765 -1.474504
C -2.055010 -2.767848 -0.700143
C 1.488388 0.511556 0.698752
C 3.150888 -0.213548 -1.016334
C 2.510854 0.853986 1.558373
C 3.864089 0.621231 1.096327
H -2.618477 -0.198010 -1.039038
H -0.391774 1.486735 -1.366137
H -0.816941 -1.705221 0.764215
H 1.207311 -0.591434 -2.443508
H -1.672120 -3.733902 -0.314624
H -2.125389 -2.837974 -1.799083
H -1.101739 -0.538996 -3.281157
H 0.439350 0.659808 0.972081
H -3.390443 -2.142546 0.707340
H 2.290550 1.279401 2.539299
H -3.997845 -0.933198 2.773997
H -4.483424 2.098203 0.411780
H 5.868859 0.737706 1.544037
H 4.812225 1.289785 2.845489


