%chk=000227732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227732

0 1
P 0.510974 -1.778831 -0.091447
O -0.548147 -1.453432 -1.295936
O -0.157587 -1.161461 1.277871
O 1.671811 -0.642046 -0.455703
O 0.968057 -3.160988 0.042208
N 2.451334 2.452277 1.371088
C -1.708143 0.335131 0.008129
C -2.069367 1.838882 -0.081079
C -2.948505 -0.553429 0.252987
C -1.034614 -0.085213 -1.322696
C -0.684973 0.181457 1.162971
C -3.041617 2.184415 -1.203871
C -3.720383 -0.218808 1.524950
C 2.934497 -0.793405 0.232067
C 3.627925 0.559853 0.017738
C 2.982866 1.615529 0.776946
H -1.762176 -0.130768 -2.158139
H -0.201196 0.585706 -1.608215
H 0.163487 0.889003 1.076728
H -1.165223 0.316782 2.154536
H -1.143838 2.439302 -0.199706
H -2.506248 2.159083 0.888117
H -2.630900 -1.617519 0.289087
H -3.626593 -0.479369 -0.620916
H -2.609870 2.015132 -2.196148
H -3.965141 1.595082 -1.138574
H -3.330183 3.242291 -1.155697
H -3.100263 -0.345046 2.421567
H -4.098760 0.809466 1.519467
H -4.585079 -0.884396 1.639776
H 2.782920 -1.013817 1.306996
H 3.502421 -1.614375 -0.252429
H 3.592192 0.813761 -1.073543
H 4.707822 0.487051 0.284268


%chk=000227732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227732

0 1
P 0.532560 -1.843073 -0.127181
O -0.528251 -1.385261 -1.395618
O -0.165029 -1.137521 1.295591
O 1.873663 -0.785058 -0.498345
O 0.858015 -3.377647 0.011774
N 2.370581 2.578552 0.752876
C -1.746341 0.376880 -0.010263
C -2.151592 1.887521 -0.057468
C -2.961211 -0.572598 0.220240
C -1.055405 0.023060 -1.356089
C -0.703140 0.256293 1.133967
C -3.226777 2.266525 -1.100472
C -3.768373 -0.327443 1.512723
C 3.083815 -0.847400 0.347149
C 3.845497 0.463770 0.075194
C 3.047812 1.644387 0.449881
H -1.765988 0.034080 -2.196983
H -0.213770 0.711772 -1.563573
H 0.144812 0.947820 0.964912
H -1.150914 0.465707 2.117915
H -1.240301 2.493622 -0.240024
H -2.512409 2.181066 0.947824
H -2.596028 -1.616629 0.219132
H -3.636587 -0.489195 -0.654151
H -2.900826 2.055258 -2.135032
H -4.175661 1.728845 -0.926610
H -3.442768 3.348477 -1.040710
H -3.154403 -0.487738 2.417272
H -4.188858 0.693984 1.558313
H -4.614772 -1.035629 1.567968
H 2.811169 -0.937701 1.415765
H 3.700853 -1.713646 0.049353
H 4.090443 0.523196 -1.000813
H 4.797682 0.463027 0.638882


