%chk=000268783.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268783

0 1
O -3.912921 -0.688749 -0.625726
O 3.540201 -0.216364 -1.006610
N -1.612293 -0.522821 -0.901869
N 2.948630 -1.197273 1.013893
N -2.859482 1.204528 0.192266
N 3.109076 1.183278 0.789058
C -1.156022 -2.901161 -0.076900
C 0.186516 -2.555216 0.598599
C 1.374982 -2.631877 -0.363581
C -1.502900 -1.960061 -1.255767
C -2.278948 -2.909535 0.963898
C 2.731772 -2.509204 0.346914
C -2.878875 -0.058357 -0.455207
C -4.168211 1.909067 0.379324
C 3.225774 -0.086525 0.166647
C 3.696674 2.361491 0.071608
C -4.581975 2.654263 -0.894761
C -4.025489 2.863471 1.568778
C 2.993377 3.622673 0.581333
C 5.212737 2.437301 0.281586
H -1.073631 -3.931516 -0.510017
H 0.345158 -3.253897 1.444743
H 0.128515 -1.549476 1.054531
H 1.297884 -1.840410 -1.139021
H 1.352438 -3.589645 -0.920878
H -0.728299 -2.037717 -2.051903
H -2.469005 -2.286625 -1.714386
H -2.296892 -1.991563 1.562166
H -3.267220 -2.973894 0.483111
H -2.188409 -3.754392 1.652401
H 2.849821 -3.296225 1.123592
H 3.551197 -2.657057 -0.398988
H -0.774527 -0.146828 -0.457148
H 2.340615 -1.041966 1.817780
H -4.938331 1.120944 0.612666
H -2.065397 1.822105 0.032857
H 3.482323 2.220690 -1.025068
H 3.174073 1.233822 1.804795
H -5.544316 3.160344 -0.760086
H -3.853408 3.412806 -1.195429
H -4.701529 1.956290 -1.735035
H -3.318303 3.675867 1.372519
H -4.990347 3.322825 1.812957
H -3.678325 2.332395 2.464323
H 3.209601 3.827449 1.635186
H 3.313530 4.500811 0.007912
H 1.904261 3.542071 0.477002
H 5.641679 3.294154 -0.250204
H 5.489166 2.536467 1.335381
H 5.708159 1.537741 -0.109841


%chk=000268783-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268783

0 1
O -3.594841 -0.175796 -0.298293
O 1.298733 0.149708 -0.639626
N -1.399064 -0.956163 -0.649997
N 2.824290 -1.267086 0.453253
N -1.793787 1.329790 -0.406598
N 2.577536 0.963851 1.136483
C -1.152614 -3.307041 0.269193
C 0.349040 -3.009295 0.545966
C 1.244301 -2.932794 -0.709321
C -1.757031 -2.365294 -0.819517
C -1.958541 -3.210922 1.585150
C 2.692107 -2.443588 -0.436951
C -2.346513 0.042953 -0.445792
C -2.646993 2.525692 -0.290710
C 2.191314 -0.045040 0.260754
C 1.933793 2.298870 1.133155
C -3.180923 2.985116 -1.671174
C -1.872707 3.650669 0.427730
C 2.094538 2.938977 2.526553
C 2.497717 3.198374 0.007907
H -1.239677 -4.342094 -0.127920
H 0.741881 -3.781372 1.240221
H 0.406049 -2.046010 1.088433
H 0.795724 -2.261869 -1.459286
H 1.321213 -3.931634 -1.186306
H -1.435778 -2.711741 -1.824058
H -2.859806 -2.422138 -0.787956
H -1.999882 -2.161152 1.930737
H -2.999321 -3.553844 1.442635
H -1.500699 -3.821584 2.387037
H 3.270382 -3.251099 0.050292
H 3.180250 -2.229039 -1.408551
H -0.410938 -0.676908 -0.739384
H 3.397658 -1.383341 1.289033
H -3.513677 2.220097 0.323778
H -0.803812 1.444238 -0.645646
H 0.859924 2.124870 0.937756
H 3.401812 0.841419 1.727619
H -3.868771 3.844978 -1.561909
H -2.348670 3.288663 -2.334955
H -3.732103 2.158206 -2.150896
H -0.982948 3.956276 -0.159384
H -2.512621 4.542986 0.549464
H -1.538020 3.320776 1.428206
H 3.162876 3.106403 2.768557
H 1.592208 3.921449 2.551836
H 1.649966 2.303070 3.312534
H 1.955247 4.161388 -0.025650
H 3.570113 3.413188 0.174375
H 2.384169 2.699332 -0.969374


