%chk=000277676.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277676

0 1
P -1.028001 0.092660 -0.054182
O 6.181108 -0.352241 -1.061231
O 5.936562 0.118859 -3.154040
N -0.105814 0.264858 -1.448034
N 5.479512 -0.087382 -2.034532
C -2.779859 -0.024803 -0.596873
C -0.918903 1.529786 1.098222
C -0.680336 -1.418539 0.943164
C -3.716866 -0.710735 0.180138
C 0.244047 2.298681 1.113263
C -0.393723 -2.592293 0.243423
C -3.134259 0.578134 -1.803414
C -2.003569 1.844747 1.920855
C -0.693324 -1.390954 2.337848
C 1.247111 0.142324 -1.476830
C -5.043336 -0.775319 -0.255267
C 0.329674 3.393662 1.984438
C -0.124464 -3.765406 0.959022
C -4.467427 0.507566 -2.232429
C -1.911888 2.938270 2.787060
C -0.423210 -2.566939 3.046409
C -5.417184 -0.164025 -1.459572
C -0.744070 3.710812 2.819619
C -0.139839 -3.751635 2.357135
C 2.120023 -0.177402 -0.385570
C 1.844758 0.369933 -2.771088
C 3.486722 -0.253557 -0.577709
C 3.201402 0.293925 -2.946174
C 4.048641 -0.014664 -1.846787
H -3.441907 -1.209136 1.112547
H 1.098487 2.082291 0.460664
H -0.362690 -2.622138 -0.851388
H -2.395128 1.093479 -2.431219
H -2.930819 1.267471 1.902401
H -0.898855 -0.475056 2.897484
H -5.786781 -1.305921 0.337458
H 1.236186 3.999102 2.003820
H 0.105395 -4.686869 0.424081
H -4.757958 0.974144 -3.173277
H -2.750624 3.194367 3.432766
H -0.426506 -2.559139 4.135590
H -6.453331 -0.218105 -1.795437
H -0.675780 4.564078 3.495500
H 0.074874 -4.665575 2.912544
H 1.729694 -0.391246 0.602802
H 1.180205 0.604267 -3.601722
H 4.153730 -0.500744 0.256223
H 3.659920 0.468208 -3.925501


%chk=000277676-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277676

0 1
P -1.010163 0.004276 -0.019395
O 6.350753 0.080014 -0.826985
O 6.109873 0.297324 -3.091169
N -0.062612 0.197140 -1.424242
N 5.614250 0.185459 -1.894269
C -2.742067 -0.051568 -0.699368
C -0.911293 1.450745 1.178797
C -0.794837 -1.558249 0.999163
C -3.831587 -0.407174 0.130536
C -0.176860 2.589133 0.771942
C -1.279364 -2.776711 0.461275
C -2.948238 0.301658 -2.051896
C -1.592915 1.441361 2.419890
C -0.075617 -1.555376 2.218785
C 1.329714 0.172615 -1.439840
C -5.140285 -0.405724 -0.401070
C -0.117474 3.720349 1.616650
C -1.057297 -3.986749 1.153739
C -4.260203 0.301031 -2.576016
C -1.532887 2.577291 3.257435
C 0.140455 -2.768839 2.908670
C -5.356026 -0.048569 -1.752823
C -0.794601 3.716208 2.857836
C -0.348798 -3.984654 2.378205
C 2.204743 0.056361 -0.302313
C 1.945372 0.287932 -2.736110
C 3.597039 0.059083 -0.449120
C 3.333892 0.293402 -2.888693
C 4.164058 0.179272 -1.741492
H -3.669510 -0.702228 1.173746
H 0.336148 2.588509 -0.196018
H -1.823032 -2.780892 -0.490234
H -2.076383 0.554748 -2.663844
H -2.161835 0.561386 2.740994
H 0.309133 -0.617958 2.636346
H -5.986167 -0.684016 0.236590
H 0.455957 4.599924 1.305768
H -1.432326 -4.927471 0.736925
H -4.425700 0.572382 -3.624156
H -2.060095 2.572965 4.217541
H 0.696182 -2.764552 3.852418
H -6.372318 -0.046738 -2.162285
H -0.748177 4.595014 3.510247
H -0.175041 -4.924957 2.912559
H 1.777721 -0.034242 0.702579
H 1.285347 0.370158 -3.604963
H 4.263741 -0.027797 0.413381
H 3.800931 0.380527 -3.873517


