%chk=000253646.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253646

0 1
O -1.550790 0.631591 1.869825
O -2.003649 3.152918 -0.244398
O -2.469356 0.119646 -1.510749
O -2.562404 -2.507799 1.072509
O -0.656222 3.768511 -1.960938
O -4.718595 -0.069680 -1.666352
O -3.021791 -3.161942 -1.048531
O 5.878925 -2.001683 -0.788172
N 0.608972 1.323766 1.218614
N 2.764939 1.239207 2.038338
N 0.903153 -0.281458 -0.698931
N 3.197437 -1.119546 -0.870756
N 4.930248 -0.468957 0.685887
C -1.426894 1.826514 -0.216065
C -2.601992 0.828052 -0.263823
C -0.822394 1.672749 1.204692
C -2.381232 -0.124262 0.939074
C -1.681254 -1.443227 0.610409
C 1.316600 0.434694 0.394026
C 1.551451 1.760566 2.218636
C 2.662351 0.406304 0.908819
C -1.548903 4.055698 -1.208784
C -3.637242 -0.337998 -2.128205
C 3.610490 -0.414050 0.222634
C -2.343545 5.302111 -1.073401
C -3.190594 -3.304212 0.140874
C -3.248832 -1.129342 -3.316224
C 1.887886 -1.021774 -1.273897
C -4.039121 -4.294806 0.855181
C 6.009908 -1.255268 0.143241
C 7.292271 -1.020912 0.892045
H -0.708858 1.681711 -1.063540
H -3.593019 1.340438 -0.224055
H -0.981221 2.581938 1.841247
H -3.312201 -0.304063 1.526579
H -0.767210 -1.580581 1.219684
H -1.445030 -1.563425 -0.469001
H 1.258616 2.443709 3.005663
H -3.056695 5.264815 -0.232722
H -1.686457 6.174289 -0.922970
H -2.926984 5.492094 -1.990850
H -2.280705 -0.816474 -3.739652
H -4.014534 -1.082829 -4.103515
H -3.129757 -2.197744 -3.024776
H 1.616009 -1.617387 -2.164237
H 5.120098 0.125964 1.507259
H -5.103505 -4.144314 0.610034
H -3.779344 -5.322438 0.553979
H -3.936211 -4.227957 1.950911
H 7.624840 0.025438 0.846032
H 7.223855 -1.308066 1.950434
H 8.098489 -1.630631 0.448519


%chk=000253646-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253646

0 1
O -1.486808 0.009490 1.759870
O -1.577609 2.815059 -0.544084
O -3.168975 0.308972 -1.516389
O -2.556545 -3.013735 0.620621
O 0.561168 2.932681 -1.478667
O -5.367694 0.337522 -0.727992
O -4.149549 -2.983088 -1.086623
O 6.528048 -1.379851 -0.481764
N 0.641229 1.060902 1.273505
N 2.773773 1.402153 2.063903
N 1.167231 -0.575626 -0.540497
N 3.583663 -1.038768 -0.686130
N 5.152169 0.024950 0.833645
C -1.367246 1.385714 -0.243276
C -2.725621 0.687700 -0.170037
C -0.809189 1.198627 1.195735
C -2.466079 -0.531098 0.762865
C -1.927855 -1.788674 0.051129
C 1.483098 0.258641 0.487992
C 1.476205 1.712115 2.201924
C 2.790639 0.489852 0.991053
C -0.529835 3.480553 -1.224490
C -4.570244 0.110155 -1.660155
C 3.860160 -0.200453 0.354033
C -0.955837 4.883622 -1.583058
C -3.678883 -3.511786 -0.052263
C -4.884318 -0.428179 -3.028794
C 2.276650 -1.179866 -1.069140
C -4.226756 -4.730514 0.653823
C 6.396277 -0.525424 0.423861
C 7.571036 0.061368 1.209643
H -0.703103 0.927054 -0.996342
H -3.479283 1.349314 0.293492
H -1.080440 2.074092 1.816125
H -3.371667 -0.789797 1.335418
H -0.849225 -1.903036 0.225510
H -2.139476 -1.750995 -1.030688
H 1.073696 2.395580 2.947259
H -1.516909 5.347316 -0.755897
H -0.072304 5.486960 -1.836768
H -1.627639 4.849209 -2.459896
H -4.176775 -0.049022 -3.781991
H -5.919670 -0.177814 -3.304072
H -4.786090 -1.528207 -2.976943
H 2.102129 -1.862752 -1.905347
H 5.180154 0.701398 1.605484
H -4.952093 -4.410440 1.424424
H -4.754544 -5.371574 -0.068286
H -3.422488 -5.289758 1.155390
H 7.751171 1.110142 0.907495
H 7.389654 0.045796 2.300051
H 8.472595 -0.526581 0.985938


