%chk=000239038.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239038

0 1
P 0.622609 0.133243 -0.552807
O 0.410072 1.573913 0.363495
O 0.149953 -1.021935 0.641977
C 2.475454 0.021029 -0.357699
C 3.278102 0.804369 -1.189001
C 3.035500 -0.844347 0.583389
C -0.889029 2.070103 0.342500
C -0.950458 -1.776235 0.235083
C 4.670987 0.711698 -1.077380
C 4.428766 -0.933768 0.687383
C 5.243713 -0.156780 -0.142196
C -1.425117 2.678258 -0.801552
C -0.706383 -3.045177 -0.311796
C -1.580142 2.042169 1.564598
C -2.247537 -1.310787 0.490090
C -2.692075 3.260964 -0.708151
C -1.799759 -3.859274 -0.613519
C -2.840277 2.636771 1.631808
C -3.323715 -2.144455 0.177128
C -3.399688 3.239653 0.498354
C -3.104441 -3.411608 -0.374859
H 2.855355 1.493941 -1.921481
H 2.406587 -1.450605 1.243895
H 5.308303 1.318505 -1.717548
H 4.876684 -1.604955 1.417669
H 6.327568 -0.226145 -0.058422
H -0.867856 2.714530 -1.733692
H 0.312838 -3.382860 -0.480877
H -1.119130 1.574109 2.432989
H -2.408922 -0.328834 0.932521
H -3.128430 3.739452 -1.584748
H -1.634088 -4.849418 -1.037190
H -3.390633 2.631283 2.572344
H -4.341108 -1.802924 0.366802
H -4.384694 3.697081 0.558113
H -3.950008 -4.051766 -0.616620


%chk=000239038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239038

0 1
P 0.660509 0.048477 -0.821692
O 0.282554 1.328844 0.395005
O 0.363379 -1.489829 0.068526
C 2.491300 0.051526 -0.444086
C 3.144082 1.238891 -0.032095
C 3.240420 -1.132421 -0.659628
C -0.928815 2.058187 0.335096
C -0.889181 -2.144377 0.011269
C 4.543303 1.238268 0.165662
C 4.638578 -1.126907 -0.459148
C 5.292844 0.058877 -0.050458
C -1.519702 2.473865 -0.883728
C -0.860502 -3.546578 0.200937
C -1.505789 2.414674 1.576401
C -2.117499 -1.465295 -0.173166
C -2.702602 3.247312 -0.848383
C -2.070368 -4.272582 0.197129
C -2.681630 3.195713 1.595892
C -3.320380 -2.207971 -0.185583
C -3.287290 3.612479 0.386248
C -3.305339 -3.609245 -0.001026
H 2.556972 2.142213 0.159103
H 2.732483 -2.056336 -0.955563
H 5.044242 2.156078 0.492583
H 5.213253 -2.045919 -0.617982
H 6.377853 0.061972 0.102931
H -1.058158 2.207333 -1.840786
H 0.104053 -4.040737 0.352441
H -1.025182 2.074017 2.498298
H -2.146335 -0.375895 -0.289398
H -3.160482 3.571166 -1.789833
H -2.046980 -5.357929 0.346254
H -3.126787 3.473800 2.557643
H -4.271042 -1.682499 -0.329213
H -4.200623 4.216413 0.406294
H -4.242138 -4.176387 -0.005345


