%chk=000227728.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227728

0 1
P 1.204872 0.983644 0.619233
O 2.114897 -0.309388 1.149988
O 2.198439 1.421276 -0.651192
O 0.953434 2.039264 1.608848
N -0.155476 0.238577 -0.172232
C -1.083259 1.204313 -0.825172
C -0.813882 -0.852663 0.606983
C 2.989807 -0.776721 0.091094
C 2.993840 0.282775 -1.044135
C -1.884586 2.106268 0.130550
C -1.078030 -2.032616 -0.347847
C -2.878049 2.979577 -0.645981
C -1.690100 -3.224762 0.395843
C 2.503167 -2.139982 -0.366739
C -3.676571 3.885534 0.288558
C -1.950021 -4.400242 -0.543301
H -0.490700 1.826470 -1.538298
H -1.787328 0.614554 -1.458355
H -0.161111 -1.201010 1.442854
H -1.767630 -0.516775 1.073728
H 3.982427 -0.846046 0.597103
H 2.573080 -0.093589 -1.996473
H 3.999596 0.704415 -1.230744
H -2.423099 1.492087 0.877463
H -1.206427 2.754445 0.729040
H -1.739873 -1.712631 -1.174398
H -0.119531 -2.328120 -0.833666
H -3.570875 2.342000 -1.229143
H -2.334263 3.598773 -1.387076
H -2.638117 -2.920585 0.882405
H -1.018803 -3.545134 1.217200
H 3.150560 -2.571416 -1.136214
H 1.470512 -2.102183 -0.768128
H 2.470346 -2.840110 0.480349
H -4.373626 4.518550 -0.271203
H -4.262798 3.306689 1.011087
H -3.018625 4.549562 0.863053
H -2.389652 -5.247359 -0.004205
H -2.643805 -4.129220 -1.347570
H -1.026239 -4.755219 -1.013704


%chk=000227728-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227728

0 1
P 1.128771 0.678686 -0.928021
O 2.035936 0.343700 0.559776
O 1.815129 -0.749341 -1.749249
O 1.352100 2.074083 -1.651528
N -0.500820 0.339193 -0.552249
C -1.547989 1.351203 -0.839519
C -0.896969 -0.965940 0.023311
C 3.279126 -0.402142 0.203580
C 2.858574 -1.396204 -0.917406
C -1.971291 2.160179 0.406402
C -1.429337 -1.966511 -1.028388
C -3.107688 3.159550 0.090017
C -1.868224 -3.305660 -0.393136
C 3.804203 -1.071951 1.468131
C -3.524582 3.995344 1.319279
C -2.408307 -4.307109 -1.437229
H -1.161896 2.039282 -1.613640
H -2.423174 0.825325 -1.271082
H -0.027786 -1.399745 0.553417
H -1.669274 -0.778083 0.795893
H 4.008600 0.330204 -0.196512
H 2.431028 -2.318976 -0.479475
H 3.700754 -1.645570 -1.583630
H -2.299768 1.471886 1.211657
H -1.089328 2.707359 0.792732
H -2.288465 -1.516748 -1.565545
H -0.637875 -2.143028 -1.781953
H -3.988554 2.607802 -0.298519
H -2.779959 3.838143 -0.723496
H -2.646778 -3.115523 0.374202
H -1.007989 -3.758435 0.142039
H 4.710497 -1.664608 1.242491
H 3.039816 -1.742872 1.897923
H 4.065790 -0.313218 2.223907
H -4.333929 4.705253 1.068335
H -3.886190 3.345824 2.138739
H -2.669678 4.579955 1.707184
H -2.708812 -5.260987 -0.966272
H -3.291380 -3.894880 -1.960506
H -1.641783 -4.532438 -2.202056


