%chk=000145978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000145978

0 1
P 0.678233 -3.407031 0.689760
O 1.828546 1.123289 -1.099061
O -0.082934 2.039578 -0.214695
O 4.080653 0.993514 1.081540
O 2.659353 3.089552 1.540717
O 1.684895 -2.169469 0.360859
O -0.395904 3.745373 -1.661563
O -0.162132 -2.881689 2.042313
O -0.499887 -3.138547 -0.408385
O 1.296267 -4.714167 0.870661
O -1.715777 -0.807552 1.465555
O -2.815597 -2.224700 0.125087
N -3.511281 -0.071661 -1.658833
C 2.695034 0.658254 1.074329
C 2.254884 0.015514 -0.258881
C 1.873395 1.980425 1.156105
C 1.357606 2.204402 -0.292007
C 1.064622 -0.939731 -0.113966
C -0.887481 2.895362 -0.963333
C -2.345121 2.622502 -0.736978
C -2.662482 1.415688 0.144099
C -2.466981 0.098343 -0.631236
C -2.391118 -1.102636 0.322412
H 2.581757 -0.003780 1.958686
H 3.091341 -0.457777 -0.819679
H 1.032107 1.936763 1.883789
H 1.639574 3.142084 -0.808494
H 0.312769 -0.571307 0.615586
H 0.592263 -1.115166 -1.104009
H 4.377225 1.294793 0.187271
H 3.626167 2.832507 1.604091
H -2.801312 3.543460 -0.305823
H -2.834346 2.501745 -1.738758
H -2.003077 1.415900 1.043196
H -3.700728 1.494176 0.523015
H -1.462023 0.138697 -1.155766
H -4.442148 -0.108168 -1.252454
H -3.372729 -0.929955 -2.190566
H 0.019417 -3.343584 2.895578
H -1.425181 -3.518034 -0.245819
H -1.564169 -1.615868 2.064652


%chk=000145978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145978

0 1
P 0.747256 -3.521078 1.055848
O 1.925768 1.082037 -1.100203
O -0.080677 1.999511 -0.098856
O 4.326512 1.200882 0.712369
O 2.688165 3.049086 1.728727
O 1.733741 -2.104697 0.870053
O -0.382216 3.593618 -1.787283
O -0.602679 -2.885124 2.064385
O -0.075429 -3.757607 -0.368456
O 1.504422 -4.705587 1.761097
O -2.188884 -1.106548 1.180748
O -1.801497 -2.014135 -0.914722
N -4.138218 -0.018327 -1.381776
C 2.975620 0.676766 0.991120
C 2.393583 -0.047183 -0.228895
C 2.002778 1.889726 1.197951
C 1.398580 2.124838 -0.220834
C 1.205835 -0.971760 0.065736
C -0.875577 2.831733 -0.933856
C -2.359478 2.726990 -0.596524
C -2.798350 1.442539 0.133989
C -2.796413 0.214682 -0.811721
C -2.223318 -1.062517 -0.168504
H 3.081213 0.036222 1.876929
H 3.163015 -0.591929 -0.799888
H 1.191169 1.638671 1.900923
H 1.635572 3.099931 -0.672481
H 0.423801 -0.442228 0.639569
H 0.790247 -1.331356 -0.892132
H 4.390980 1.434747 -0.251319
H 3.661134 2.909339 1.542404
H -2.588032 3.613721 0.028898
H -2.922775 2.863053 -1.537383
H -2.143872 1.263611 0.999659
H -3.822521 1.586951 0.523973
H -2.114145 0.404996 -1.661920
H -4.868703 -0.188674 -0.682715
H -4.163753 -0.687909 -2.157207
H -0.561544 -3.165717 3.010991
H -0.880259 -3.109173 -0.615729
H -1.647348 -1.911003 1.586027


