%chk=000244898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244898

0 1
O 2.754795 -3.168119 -1.605925
O 4.184169 -0.881761 -0.166150
O -1.966664 -1.655179 1.283635
O -4.694878 -0.918604 0.544160
O -4.943281 1.447420 -1.145842
O 4.228008 2.674837 1.640217
N 2.963021 2.074267 -0.161965
C 2.133108 -0.703520 1.157382
C 0.771831 -1.516263 0.976215
C 1.322769 0.515957 0.737538
C 0.167091 -0.168314 0.558637
C 1.722921 1.942240 0.650101
C 3.070123 -1.260639 0.097400
C -1.157471 0.201714 0.136667
C 1.042135 -2.497168 -0.122007
C 0.595582 2.823113 0.065366
C -0.170557 2.188036 -1.104021
C 2.305528 -2.377244 -0.589111
C -1.345406 1.356589 -0.657768
C -2.289436 -0.567444 0.522220
C -2.627797 1.713561 -1.086970
C -3.588494 -0.179000 0.130564
C -3.737514 0.945913 -0.710005
C 4.195507 2.307257 0.478045
C 4.179849 -3.110152 -1.890502
C 5.407115 2.104756 -0.382574
C -3.000537 -2.621527 1.614396
C -5.438532 -0.250875 1.607772
C -5.904906 0.490851 -1.670914
H 2.583576 -0.662024 2.157420
H 0.325616 -1.960909 1.878070
H 1.960830 2.318866 1.694549
H 0.284524 -3.182403 -0.463304
H 1.030299 3.790393 -0.260815
H -0.111901 3.076300 0.881244
H 0.511463 1.553200 -1.710899
H -0.505703 2.991062 -1.793403
H 2.936234 1.655716 -1.085788
H -2.789427 2.586615 -1.717249
H 4.751445 -3.440016 -1.018843
H 4.267749 -3.817369 -2.723077
H 4.468283 -2.096166 -2.186409
H 6.304928 2.484828 0.129072
H 5.570883 1.026110 -0.560920
H 5.343094 2.605973 -1.354068
H -2.404088 -3.463409 1.984482
H -3.581557 -2.891453 0.725422
H -3.647108 -2.206399 2.391751
H -5.808705 0.717129 1.254221
H -4.803307 -0.127421 2.488276
H -6.257525 -0.951891 1.794211
H -6.033165 -0.368541 -1.003026
H -6.815842 1.095929 -1.735571
H -5.563974 0.172780 -2.660608


%chk=000244898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244898

0 1
O 2.436990 -3.463153 -1.608259
O 3.954336 -0.994025 -0.572626
O -2.138724 -1.662364 1.489940
O -4.756386 -0.799984 0.674374
O -4.956494 1.548195 -1.006504
O 3.675052 3.999455 0.853590
N 3.140600 1.885713 0.044979
C 2.171707 -0.908980 1.177432
C 0.770382 -1.627874 1.152981
C 1.402351 0.396263 0.877094
C 0.182816 -0.233258 0.751155
C 1.876895 1.817825 0.821999
C 2.918571 -1.491288 -0.027260
C -1.139347 0.203141 0.314533
C 0.892358 -2.691823 0.097453
C 0.770972 2.779095 0.298836
C -0.055158 2.209371 -0.888959
C 2.118573 -2.651616 -0.531845
C -1.273669 1.393117 -0.477330
C -2.310702 -0.547035 0.647047
C -2.553052 1.786498 -0.922284
C -3.596689 -0.107228 0.236270
C -3.706477 1.047825 -0.586108
C 3.983212 2.977400 0.160323
C 3.870946 -3.689998 -1.911838
C 5.295676 2.875539 -0.612489
C -2.808510 -2.924626 1.100758
C -5.515705 -0.051793 1.708661
C -5.785248 0.619590 -1.811564
H 2.771593 -0.956562 2.102722
H 0.391129 -1.992524 2.119865
H 2.128225 2.165409 1.849498
H 0.090608 -3.381286 -0.180254
H 1.266412 3.721729 0.011874
H 0.091634 3.022173 1.137763
H 0.621342 1.589616 -1.514920
H -0.395524 3.043628 -1.527928
H 3.497529 1.024605 -0.389985
H -2.678061 2.676254 -1.547246
H 4.361652 -4.213985 -1.070637
H 3.865160 -4.333489 -2.803635
H 4.386090 -2.737478 -2.110526
H 5.300224 3.624209 -1.424567
H 6.130970 3.121048 0.064918
H 5.463154 1.875636 -1.048031
H -2.466204 -3.665150 1.840147
H -2.492134 -3.228428 0.083917
H -3.903570 -2.812729 1.129748
H -5.855524 0.919957 1.307074
H -4.885205 0.104986 2.603117
H -6.379386 -0.686756 1.959583
H -5.985488 -0.313539 -1.257076
H -6.720727 1.164802 -2.008306
H -5.274468 0.391492 -2.766173


