%chk=000191426.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191426

0 1
P 4.173582 -1.814337 0.332615
O 2.034958 1.394291 1.009137
O 2.746831 -1.735483 1.192739
O 3.806300 -0.691896 -0.829819
O 3.952887 -3.210290 -0.498161
O 1.800011 1.840068 -2.625979
O 5.426726 -1.696369 1.067009
N -0.062864 0.472522 1.534164
N -2.038060 1.347112 2.332769
N -0.948185 -0.384694 -0.695464
N -3.175679 -0.012766 -1.017247
N -1.966328 -0.501955 -1.423670
N -4.724847 1.016585 0.331913
C 1.773027 -0.945678 0.497400
C 2.444131 -0.242861 -0.718770
C 1.389588 0.203183 1.471020
C 2.476426 1.261900 -0.371650
C 1.541574 2.109420 -1.249559
C -1.042406 0.254015 0.554426
C -0.725774 1.160080 2.588034
C -2.265053 0.795817 1.077557
C -3.434177 0.675121 0.262828
C -4.410304 -0.051605 -1.699574
C -5.324792 0.576812 -0.860135
H 0.939067 -1.638464 0.237322
H 1.967582 -0.454157 -1.708046
H 1.785681 0.045051 2.509743
H 3.519532 1.655692 -0.354395
H 1.652186 3.186105 -1.028744
H 0.477509 1.825344 -1.126891
H -0.209506 1.481010 3.486833
H 4.672865 -3.894495 -0.453783
H 2.665827 2.214198 -2.898923
H -4.525571 -0.498284 -2.671685
H -6.379043 0.746709 -1.027115


%chk=000191426-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191426

0 1
P 4.247618 -1.802684 0.273280
O 1.972548 1.464960 0.926537
O 2.814765 -1.621167 1.267840
O 3.592131 -0.912989 -1.076737
O 4.173021 -3.424645 -0.277436
O 2.140982 1.908727 -2.820950
O 5.635807 -1.386892 0.903069
N -0.156416 0.459684 1.561406
N -2.160894 1.081281 2.509266
N -0.925836 -0.124311 -0.716602
N -3.216187 0.145141 -0.994357
N -1.963766 -0.226215 -1.546804
N -4.840045 0.861699 0.475251
C 1.722130 -0.918138 0.566037
C 2.288932 -0.285556 -0.758721
C 1.304715 0.278017 1.456112
C 2.446536 1.227666 -0.471008
C 1.666275 2.126388 -1.451212
C -1.138734 0.316064 0.565858
C -0.832460 0.927799 2.692379
C -2.369286 0.700660 1.181048
C -3.523414 0.619475 0.355915
C -4.420681 0.113481 -1.689501
C -5.389701 0.552141 -0.777577
H 0.910305 -1.635595 0.379134
H 1.631935 -0.477759 -1.616907
H 1.676019 0.123843 2.483198
H 3.520388 1.494194 -0.481279
H 1.758502 3.184505 -1.136279
H 0.602479 1.845284 -1.473500
H -0.311899 1.144204 3.623451
H 5.008264 -3.937892 -0.123875
H 3.082387 2.207318 -2.902177
H -4.475312 -0.204289 -2.725549
H -6.457403 0.663301 -0.953413


