%chk=000271744.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271744

0 1
P -1.529082 0.458566 0.602077
O 0.304256 0.677805 4.094160
O 4.433890 -2.317810 -1.214563
N 4.861253 -0.274016 -0.237077
C -3.246794 1.075626 0.303963
C -1.497424 -1.290374 0.002700
C -0.455805 1.441753 -0.533858
C -1.162541 0.595312 2.286569
C -4.021186 0.574164 -0.742088
C -1.572534 -2.290810 0.971099
C -0.770546 2.786430 -0.740848
C -3.739848 2.066216 1.155692
C -1.414311 -1.601303 -1.355719
C 0.657481 0.861997 -1.141409
C 0.103315 0.543331 2.888778
C -5.311387 1.079407 -0.942904
C -1.565697 -3.633714 0.569718
C 0.034593 3.557338 -1.587047
C -5.030594 2.567823 0.949345
C -1.406284 -2.943104 -1.749608
C 1.458857 1.638451 -1.988354
C 1.331708 0.306352 2.020593
C -5.814170 2.075134 -0.098835
C -1.481700 -3.957504 -0.786725
C 1.146671 2.982295 -2.211840
C 2.205592 1.371474 1.767716
C 1.632988 -0.969487 1.538763
C 3.363703 1.173226 1.017082
C 2.784189 -1.188719 0.776874
C 3.650313 -0.115484 0.518825
C 5.192371 -1.384677 -1.040228
C 6.558239 -1.294844 -1.666643
H -1.991007 0.722801 2.979451
H -3.656949 -0.210094 -1.409314
H -1.629186 -2.052761 2.041654
H -1.629929 3.261080 -0.260579
H -3.146258 2.458309 1.990419
H -1.345615 -0.826934 -2.122904
H 0.940748 -0.182239 -0.965078
H -5.925287 0.693450 -1.755180
H -1.620501 -4.423323 1.318319
H -0.202791 4.606289 -1.755423
H -5.425050 3.338627 1.610394
H -1.333606 -3.201023 -2.804877
H 2.331745 1.191499 -2.462441
H -6.819816 2.465221 -0.256543
H -1.470068 -5.002351 -1.097821
H 1.771994 3.584985 -2.869843
H 1.978782 2.360291 2.169379
H 0.974125 -1.808952 1.764871
H 4.033040 2.007166 0.829311
H 3.007824 -2.187829 0.393273
H 5.532051 0.491141 -0.154731
H 6.672031 -0.418364 -2.316082
H 6.737174 -2.184706 -2.293999
H 7.360033 -1.271037 -0.916461


%chk=000271744-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271744

0 1
P -1.566600 0.418839 0.491646
O 0.389134 1.517865 3.873926
O 4.875689 -2.262629 -1.081583
N 5.252976 -0.245445 0.062709
C -3.345228 1.015265 0.388518
C -1.632555 -1.385984 -0.071566
C -0.610564 1.334101 -0.848065
C -1.055076 0.720730 2.163643
C -4.297070 0.362468 -0.430300
C -1.632160 -2.372418 0.941550
C -0.950487 2.682753 -1.114977
C -3.721098 2.159681 1.136176
C -1.717104 -1.762458 -1.433941
C 0.459836 0.723423 -1.543188
C 0.251390 0.981099 2.707329
C -5.619621 0.855054 -0.502512
C -1.719257 -3.738964 0.593969
C -0.225359 3.414100 -2.081189
C -5.045827 2.645082 1.062921
C -1.796719 -3.131398 -1.778224
C 1.185807 1.461403 -2.504511
C 1.514202 0.630724 1.946901
C -5.996451 1.996756 0.241185
C -1.799598 -4.119757 -0.766016
C 0.844682 2.805213 -2.777534
C 2.611711 1.528736 2.010102
C 1.696023 -0.600820 1.271878
C 3.824973 1.227951 1.371034
C 2.916401 -0.933184 0.643214
C 3.987664 -0.004315 0.676636
C 5.642673 -1.308605 -0.751729
C 7.094435 -1.246499 -1.227252
H -1.899407 0.887386 2.841496
H -4.022862 -0.535900 -0.991997
H -1.555385 -2.058759 1.991175
H -1.776154 3.163047 -0.579574
H -2.985402 2.654320 1.780583
H -1.707753 -1.002272 -2.223293
H 0.743036 -0.311395 -1.332853
H -6.354078 0.342279 -1.133028
H -1.716655 -4.501866 1.379885
H -0.495279 4.455600 -2.286838
H -5.331921 3.525423 1.648469
H -1.851957 -3.424305 -2.832421
H 2.020401 0.983822 -3.028844
H -7.023608 2.373917 0.186048
H -1.857138 -5.179983 -1.036269
H 1.408649 3.375283 -3.524194
H 2.491376 2.455629 2.579900
H 0.885921 -1.338273 1.263772
H 4.657231 1.943724 1.413693
H 3.052458 -1.889778 0.135573
H 5.962675 0.468189 0.242920
H 7.635890 -0.339434 -0.905700
H 7.112994 -1.301017 -2.329198
H 7.633147 -2.132306 -0.848053


