%chk=000215458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215458

0 1
O -0.146239 -0.879623 -2.382650
O -1.487005 3.030998 1.746064
O 4.120572 -0.450621 1.838512
N -3.107529 -1.841573 0.454096
C -0.732889 -1.566367 -0.204560
C -2.204072 -1.345404 -0.633632
C 0.204478 -0.613768 -1.009256
C -4.495721 -2.110980 -0.051430
C -3.286582 -0.832216 1.551625
C -5.367130 -0.867607 0.237569
C -4.589673 -0.046565 1.282534
C -0.334037 -3.029282 -0.406542
C 0.004674 0.881634 -0.735430
C 1.675651 -0.956903 -0.764690
C -0.664771 1.340915 0.393970
C 2.289375 -0.564165 0.422991
C 0.547904 1.808823 -1.648354
C 2.399463 -1.678998 -1.730032
C -0.792719 2.731740 0.593947
C 3.643625 -0.899924 0.625591
C 0.409864 3.178019 -1.430826
C 3.738450 -1.996088 -1.507307
C -0.264742 3.664357 -0.304191
C 4.384013 -1.609834 -0.326538
C -1.663902 4.427047 2.086796
C 5.498504 -0.740853 2.173066
H -0.612853 -1.317930 0.880127
H -2.394065 -1.920088 -1.567117
H -2.384706 -0.282670 -0.899727
H -4.503055 -2.387146 -1.120455
H -4.870044 -2.991759 0.512696
H -3.358620 -1.403377 2.500578
H -2.408879 -0.157028 1.644107
H -6.362021 -1.157728 0.609471
H -5.534199 -0.280301 -0.679998
H -4.367969 0.965699 0.905529
H -5.171247 0.085231 2.208136
H -1.077075 -3.691064 0.059603
H -0.280147 -3.283692 -1.472344
H 0.639933 -3.254331 0.040329
H 0.325301 -0.272302 -2.992143
H -1.112028 0.661353 1.128754
H 1.758132 -0.004130 1.190862
H 1.088942 1.452148 -2.522452
H 1.897730 -2.008067 -2.639681
H 0.834690 3.885305 -2.143931
H 4.294178 -2.556267 -2.259546
H -0.363644 4.731580 -0.146970
H 5.425042 -1.863295 -0.167902
H -0.693047 4.906569 2.241397
H -2.252817 4.934028 1.317312
H -2.222668 4.358701 3.029452
H 6.172454 -0.263515 1.456244
H 5.589788 -0.280486 3.165562
H 5.657434 -1.821599 2.226787


%chk=000215458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215458

0 1
O -0.202539 -0.844759 -2.411685
O -1.655849 3.215993 1.659148
O 4.240815 -0.441730 1.822198
N -3.159566 -2.005420 0.393775
C -0.749450 -1.513660 -0.165812
C -2.241319 -1.312053 -0.557463
C 0.186904 -0.573146 -1.000426
C -4.543963 -2.162606 -0.139196
C -3.388234 -1.268552 1.672348
C -5.301352 -0.822252 0.172291
C -4.533294 -0.228904 1.399894
C -0.375177 -3.005599 -0.316788
C 0.013131 0.942306 -0.718456
C 1.674276 -0.948108 -0.784275
C -0.743175 1.453776 0.353017
C 2.341090 -0.539301 0.390558
C 0.683033 1.864765 -1.573429
C 2.372104 -1.725303 -1.744187
C -0.862475 2.851516 0.558225
C 3.689867 -0.905138 0.613836
C 0.561075 3.251101 -1.369255
C 3.719265 -2.076240 -1.519935
C -0.217017 3.766159 -0.305285
C 4.394395 -1.676001 -0.343985
C -1.813040 4.645540 1.936243
C 5.633722 -0.789493 2.106308
H -0.610689 -1.240679 0.900413
H -2.384763 -1.762319 -1.554550
H -2.473412 -0.228507 -0.663497
H -4.521532 -2.415683 -1.212493
H -5.034317 -2.998079 0.398273
H -3.718321 -1.996394 2.438668
H -2.457085 -0.805710 2.040355
H -6.368794 -1.000810 0.393172
H -5.250515 -0.135041 -0.691044
H -4.115442 0.766472 1.165419
H -5.185748 -0.112492 2.283415
H -1.161049 -3.608554 0.169764
H -0.324716 -3.286224 -1.383948
H 0.597068 -3.239822 0.149149
H 0.184836 -0.140099 -2.990793
H -1.259580 0.799655 1.059221
H 1.840420 0.078245 1.143593
H 1.342634 1.500042 -2.371657
H 1.845227 -2.058986 -2.642424
H 1.086702 3.946924 -2.032821
H 4.254933 -2.676830 -2.264282
H -0.298187 4.847219 -0.160441
H 5.438902 -1.962553 -0.189827
H -0.837560 5.123467 2.152019
H -2.303498 5.168206 1.091881
H -2.455848 4.696283 2.827216
H 6.318710 -0.374432 1.340917
H 5.850364 -0.332776 3.083339
H 5.772135 -1.886815 2.169302


