%chk=000244930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244930

0 1
O 1.029125 3.137481 0.299917
O 6.089989 -0.864997 -1.630372
O -3.966994 0.524951 -1.157768
O -2.967688 -2.305335 0.308338
O -5.066520 -0.152068 0.714547
N 3.113603 0.473719 0.219794
N -1.677240 -0.383106 0.059885
C 2.880902 1.830912 -0.349254
C 4.481107 -0.051213 -0.012337
C 2.031675 -0.447674 0.258930
C 0.706061 -0.001390 0.093377
C 2.354336 2.770473 0.749195
C 4.704425 -0.554831 -1.452764
C 2.269563 -1.812019 0.562566
C -0.353077 -0.914439 0.233561
C 1.198204 -2.689792 0.698066
C -0.122345 -2.263604 0.532639
C -2.861468 -1.116657 0.128225
C -4.118634 -0.213564 -0.017015
C -5.051958 1.429766 -1.555681
C -5.027474 2.673700 -0.695633
H 2.143351 1.816034 -1.190807
H 3.823317 2.237194 -0.775320
H 4.683937 -0.866801 0.719835
H 5.221990 0.747223 0.223025
H 0.499283 1.050239 -0.121683
H 2.286668 2.276999 1.735720
H 2.953823 3.693460 0.827973
H 4.079431 -1.432414 -1.692877
H 4.527641 0.235373 -2.206769
H 3.280632 -2.177825 0.712673
H 1.390114 -3.737774 0.937009
H -0.948164 -2.970241 0.636045
H -1.732334 0.607295 -0.213694
H 0.540141 3.577432 1.020559
H 6.323199 -1.687411 -1.155323
H -4.780261 1.617010 -2.611344
H -6.005926 0.877640 -1.485636
H -5.287673 2.444028 0.349226
H -4.038177 3.148017 -0.690245
H -5.749687 3.419310 -1.052483


%chk=000244930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244930

0 1
O 1.091890 2.926483 0.237850
O 6.625193 -0.744549 -0.386496
O -3.807701 1.014943 -0.786618
O -3.165835 -2.437926 0.039588
O -5.394090 -0.683881 -0.511699
N 2.994933 0.397325 -0.181243
N -1.784527 -0.544249 -0.295159
C 2.834976 1.663616 -0.915171
C 4.361475 0.074887 0.258592
C 1.939174 -0.528676 -0.030190
C 0.587725 -0.125170 -0.213028
C 2.533325 2.910469 -0.061706
C 5.224991 -0.629842 -0.821614
C 2.189160 -1.893023 0.319352
C -0.471948 -1.057598 -0.089413
C 1.118274 -2.797662 0.458382
C -0.222197 -2.413770 0.248302
C -2.992157 -1.215791 -0.224780
C -4.210059 -0.304328 -0.512849
C -4.897542 2.004930 -1.069513
C -5.451497 2.586653 0.233228
H 2.040322 1.563457 -1.677786
H 3.775665 1.863272 -1.466455
H 4.320761 -0.546365 1.174069
H 4.884295 1.009947 0.538641
H 0.364189 0.934550 -0.375456
H 3.140252 2.882673 0.867157
H 2.806892 3.818734 -0.641253
H 4.797282 -1.616973 -1.089855
H 5.269421 -0.015347 -1.736250
H 3.210373 -2.256444 0.464997
H 1.336025 -3.838835 0.722811
H -1.047097 -3.119939 0.345429
H -1.859181 0.452561 -0.528405
H 0.904478 3.543019 0.987349
H 6.688487 -1.407642 0.346245
H -4.400381 2.766078 -1.691479
H -5.683460 1.490340 -1.649574
H -5.948073 1.805584 0.832401
H -4.648521 3.045510 0.835358
H -6.198395 3.368082 0.000342


