%chk=000197532.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197532

0 1
O 5.167442 2.691368 0.032367
O 3.895374 2.022728 1.749317
O -4.886673 -1.878301 0.970240
O -2.967779 -2.067165 2.104149
O 2.786387 -4.071843 0.451016
O 1.535187 -3.370154 2.171984
N 2.065085 1.944219 -0.718309
N -3.037183 -2.164338 -1.336116
N -0.881138 -3.882152 0.648533
C -0.043158 2.981474 0.210754
C -1.448616 2.835365 -0.416506
C 0.791174 1.925425 -0.529339
C 0.643667 4.340704 0.070768
C -1.412463 1.474337 -1.090282
C -0.162802 0.953522 -1.128347
C 2.101186 4.203058 0.536950
C 2.853063 3.096556 -0.240053
C 0.286792 -0.355408 -1.677029
C -2.667847 0.883042 -1.634702
C 0.529899 -1.367674 -0.543057
C -3.499723 0.160205 -0.564184
C 0.557809 -2.800438 -1.081729
C 3.951058 2.521699 0.653698
C -2.897921 -1.213580 -0.217391
C 0.451049 -3.891569 0.002215
C -3.523689 -1.746556 1.080760
C 1.586205 -3.721745 1.019025
H -0.091260 2.699095 1.291463
H -2.246687 2.897385 0.341649
H -1.656569 3.631395 -1.153822
H 0.605389 4.693358 -0.978174
H 0.121587 5.107806 0.671963
H 2.116744 3.981582 1.625979
H 2.632893 5.165299 0.416076
H 3.329999 3.539001 -1.164679
H -0.469759 -0.751289 -2.389372
H 1.221766 -0.216577 -2.263574
H -3.286496 1.675046 -2.105963
H -2.432398 0.165790 -2.457083
H -0.276532 -1.259289 0.220942
H 1.474425 -1.121893 -0.018077
H -3.569243 0.781289 0.350572
H -4.541347 0.033809 -0.925272
H -0.278574 -2.949249 -1.799707
H 1.491423 -2.964584 -1.659758
H -1.784528 -1.087553 -0.000636
H 0.589406 -4.893449 -0.497540
H -4.012013 -2.379948 -1.526238
H -2.542762 -3.036982 -1.138795
H 5.924723 2.313733 0.553170
H -0.986749 -4.678942 1.274863
H -1.014403 -3.045772 1.225614
H -5.308224 -2.244583 1.793737
H 3.556603 -3.951555 1.069929


%chk=000197532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197532

0 1
O 5.176679 2.527320 -0.076015
O 3.911969 2.203174 1.841977
O -5.330469 -1.631339 0.840632
O -3.650035 -1.761867 2.440041
O 2.979721 -4.301212 0.192927
O 1.741427 -3.626399 2.039446
N 2.069262 1.961130 -0.703793
N -2.805372 -2.126323 -0.773597
N -0.693521 -3.881942 0.584498
C -0.092164 3.027149 0.152780
C -1.490184 2.832436 -0.494511
C 0.768611 1.962429 -0.542670
C 0.609648 4.394068 0.065350
C -1.425451 1.434208 -1.118551
C -0.132496 0.954853 -1.143872
C 2.046394 4.213135 0.616204
C 2.837449 3.144420 -0.193232
C 0.374539 -0.345202 -1.716415
C -2.660529 0.776611 -1.687167
C 0.636147 -1.410464 -0.611993
C -3.651355 0.233307 -0.615949
C 0.743947 -2.832347 -1.200594
C 3.983341 2.582714 0.653616
C -3.084349 -0.995564 0.135154
C 0.598268 -3.968552 -0.141078
C -3.998269 -1.460925 1.274663
C 1.787061 -3.945650 0.831081
H -0.165097 2.742101 1.223760
H -2.317464 2.935017 0.233259
H -1.671103 3.589338 -1.286630
H 0.636208 4.738813 -0.987940
H 0.072316 5.162769 0.651102
H 1.988480 3.891920 1.673693
H 2.602338 5.168801 0.590747
H 3.297362 3.604826 -1.088192
H -0.362843 -0.758919 -2.429068
H 1.315989 -0.153473 -2.265385
H -3.207876 1.517409 -2.305738
H -2.384991 -0.069922 -2.340403
H -0.206534 -1.381029 0.101728
H 1.547333 -1.139964 -0.044677
H -3.898945 1.025779 0.117759
H -4.599110 -0.052672 -1.109482
H -0.078311 -2.980831 -1.925702
H 1.700911 -2.965352 -1.739062
H -2.133721 -0.707339 0.618195
H 0.640426 -4.929161 -0.687124
H -3.653471 -2.537166 -1.179707
H -2.133657 -2.824675 -0.388914
H 5.887755 2.119945 0.490842
H -1.047488 -4.806609 0.859183
H -0.609896 -3.293577 1.427296
H -5.865628 -2.016322 1.586761
H 3.736546 -4.233173 0.836763


