%chk=000212922.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212922

0 1
O -1.307752 -1.574290 -0.000358
O 5.107725 0.339682 1.377486
O 4.395927 1.051452 -0.657147
O -2.260976 -0.167542 -1.545628
N 3.585855 -0.940822 0.304729
N -3.471408 -1.003821 0.285768
C 1.039634 -0.998722 0.215483
C 0.729031 0.455362 0.632450
C 0.364118 1.442464 -0.501261
C 2.390516 -1.103839 -0.554413
C -0.046873 -1.558544 -0.739019
C 1.068507 -1.886988 1.472739
C 1.601519 2.034385 -1.178358
C -0.513532 2.569837 0.065035
C 4.318246 0.236946 0.238308
C -2.338113 -0.805929 -0.518300
C -4.534853 0.035273 0.230826
C -4.343544 1.076950 1.217029
C -4.182112 1.947707 2.033615
H -0.116868 0.423016 1.351047
H 1.583132 0.860711 1.207022
H -0.239213 0.902999 -1.279963
H 2.484591 -2.100884 -1.043585
H 2.415862 -0.333442 -1.374822
H 0.109402 -2.620971 -0.991726
H -0.153310 -0.952474 -1.661749
H 0.050685 -2.015980 1.871443
H 1.669473 -1.452950 2.277622
H 1.451682 -2.890116 1.260326
H 2.227586 2.603389 -0.481461
H 1.325970 2.711741 -1.993230
H 2.252497 1.255276 -1.608063
H -0.003588 3.123326 0.859435
H -1.455171 2.183830 0.469569
H -0.774178 3.290838 -0.718671
H 3.587258 -1.456369 1.187305
H -3.327707 -1.439206 1.200071
H 5.755746 1.089780 1.297482
H -5.516262 -0.484567 0.386564
H -4.566181 0.477508 -0.804337
H -4.047520 2.698581 2.732236


%chk=000212922-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212922

0 1
O -1.351643 -1.432579 0.237106
O 5.731052 -0.079841 0.559335
O 4.706740 0.316020 -1.520537
O -2.325619 -0.270920 -1.582866
N 3.607301 -0.828635 0.221423
N -3.503798 -0.739203 0.395006
C 1.089628 -0.965926 0.371783
C 0.824585 0.517029 0.786036
C 0.581714 1.582360 -0.331089
C 2.369492 -1.140092 -0.503444
C -0.064416 -1.539310 -0.491422
C 1.208871 -1.823542 1.664610
C 1.866366 2.369670 -0.693457
C -0.523120 2.573134 0.117508
C 4.655770 -0.166508 -0.358865
C -2.397548 -0.760511 -0.426545
C -4.743329 -0.057855 -0.007844
C -5.142080 1.016512 0.925393
C -5.495317 1.897924 1.711119
H -0.057462 0.496091 1.455935
H 1.677629 0.847916 1.412827
H 0.211502 1.078985 -1.247175
H 2.409947 -2.188488 -0.872339
H 2.337398 -0.486330 -1.391644
H 0.091455 -2.618911 -0.674302
H -0.166861 -1.017366 -1.459554
H 0.232399 -1.869476 2.176612
H 1.931366 -1.387058 2.380065
H 1.521495 -2.861215 1.436468
H 2.243828 2.913252 0.195151
H 1.653034 3.119787 -1.478225
H 2.680926 1.725455 -1.066391
H -0.229754 3.086289 1.054435
H -1.483377 2.055631 0.297210
H -0.696801 3.348059 -0.652016
H 3.747684 -1.196649 1.162467
H -3.424546 -1.147599 1.326649
H 6.467901 0.413488 0.116878
H -5.571005 -0.788655 -0.098229
H -4.559872 0.356856 -1.016086
H -5.795732 2.675806 2.389514


