%chk=000265428.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265428

0 1
P -0.146091 -0.728183 -0.433363
O -1.070560 -0.218809 -1.713627
O -1.256831 -0.914278 0.782812
O 0.605179 -1.961742 -0.687080
O -4.332817 -0.542143 -1.735543
O -4.495474 -1.024356 0.367791
N -4.005031 -0.432218 -0.571803
N 0.712150 0.733258 0.017241
C -2.917796 0.628673 -0.242204
C -1.999926 0.842866 -1.467873
C -2.130657 0.195924 1.016541
C -3.685320 1.919293 0.051778
C 1.767560 0.502637 1.050027
C 3.129857 0.234293 0.450590
C 3.466663 -1.042517 -0.019141
C 4.063553 1.277457 0.362226
C 4.730559 -1.271851 -0.570384
C 5.326557 1.042851 -0.187966
C 5.662025 -0.232225 -0.654717
H -2.592203 0.842099 -2.416585
H -1.450112 1.801460 -1.382247
H -1.559183 1.047632 1.439338
H -2.815050 -0.215012 1.797874
H -4.279838 2.254554 -0.811614
H -4.383836 1.801074 0.894786
H -3.007531 2.743521 0.313597
H 1.098411 1.296838 -0.766333
H 1.483635 -0.317796 1.751805
H 1.797173 1.423171 1.684912
H 2.742213 -1.865005 0.027513
H 3.809997 2.271678 0.724579
H 4.986185 -2.265708 -0.936976
H 6.049861 1.853625 -0.252524
H 6.645777 -0.414860 -1.083329


%chk=000265428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000265428

0 1
P -0.217685 -0.830178 -0.562898
O -1.277574 -0.264149 -1.823851
O -1.247258 -0.834847 0.847235
O 0.407347 -2.256795 -0.823568
O -4.447934 -0.793997 -1.538359
O -4.500390 -1.043902 0.723649
N -4.051713 -0.510396 -0.353085
N 0.795422 0.561226 -0.324071
C -3.007528 0.656370 -0.186757
C -2.212864 0.838174 -1.499059
C -2.105438 0.354113 1.031127
C -3.855329 1.922425 0.089026
C 1.791283 0.611402 0.784377
C 3.222555 0.293957 0.356415
C 3.534712 -0.935066 -0.283160
C 4.258633 1.228301 0.602870
C 4.864529 -1.217295 -0.664336
C 5.591125 0.943245 0.223057
C 5.896463 -0.281329 -0.412375
H -2.894931 0.867851 -2.361846
H -1.651748 1.789980 -1.418658
H -1.479044 1.248452 1.219079
H -2.715871 0.115029 1.914204
H -4.517603 2.145101 -0.765207
H -4.477836 1.780977 0.988717
H -3.194531 2.791285 0.253859
H 1.071642 1.052706 -1.181234
H 1.447185 -0.100897 1.559240
H 1.750449 1.619166 1.239102
H 2.740059 -1.665381 -0.483333
H 4.025435 2.180976 1.095946
H 5.096256 -2.168630 -1.156039
H 6.384175 1.673428 0.419777
H 6.927107 -0.505102 -0.709742


