%chk=000179173.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179173

0 1
O -0.713462 -1.423185 -0.492053
O -1.985497 -2.535101 -2.038658
O 3.157583 1.269592 1.116763
N -2.768939 -0.586960 -1.005313
N 0.106107 -4.156673 1.261469
C -2.475990 0.477063 -0.008866
C -4.120514 -0.647287 -1.629632
C -2.730213 -0.006765 1.428523
C -4.189377 0.276604 -2.856909
C -1.877597 -1.605934 -1.262671
C -2.471579 1.111571 2.431214
C -5.583269 0.251966 -3.474134
C 0.338206 -2.414397 -0.686764
C 1.638899 -1.643335 -0.594004
C 1.716488 -0.518856 0.235357
C 2.747178 -2.067236 -1.336789
C 2.927584 0.177360 0.285266
C 3.953493 -1.358966 -1.249223
C 4.058779 -0.225859 -0.444104
C 0.212105 -3.391299 0.405144
C 2.088499 2.095133 1.482002
C 1.084298 2.483988 0.588744
C 2.170101 2.586696 2.792813
C 0.128542 3.400459 1.036302
C 1.204710 3.503627 3.210280
C 0.184069 3.906684 2.339207
H -3.102693 1.364197 -0.244550
H -1.409399 0.788203 -0.122877
H -4.881164 -0.360637 -0.871340
H -4.339756 -1.700088 -1.931450
H -3.766095 -0.382832 1.532440
H -2.071816 -0.874562 1.647530
H -3.913563 1.311643 -2.577545
H -3.435828 -0.042731 -3.606426
H -1.445451 1.496929 2.359006
H -3.153546 1.956981 2.289292
H -2.606671 0.753553 3.459656
H -5.863848 -0.756171 -3.804165
H -6.350815 0.595243 -2.771256
H -5.633839 0.903602 -4.355253
H 0.194034 -2.917956 -1.684493
H 0.850628 -0.207808 0.822661
H 2.682939 -2.943849 -1.978792
H 4.818640 -1.695477 -1.822595
H 4.985043 0.340515 -0.366303
H 1.059672 2.096974 -0.427476
H 2.972655 2.256964 3.449591
H -0.661082 3.726597 0.359657
H 1.245474 3.905509 4.223036
H -0.563823 4.621209 2.676687


%chk=000179173-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179173

0 1
O -1.254701 -1.123934 0.162173
O -1.643828 -2.580745 -1.659295
O 3.784673 1.562635 0.497419
N -3.182747 -0.899168 -1.085408
N 0.303151 -2.230853 2.969552
C -3.557128 0.226705 -0.195422
C -4.109789 -1.289118 -2.175338
C -4.311961 -0.227656 1.075708
C -3.853227 -0.515714 -3.489266
C -2.023023 -1.612015 -0.941090
C -4.746016 0.976009 1.938599
C -4.864435 -0.908485 -4.587121
C 0.055467 -1.838970 0.344992
C 1.191052 -1.041019 -0.283996
C 1.925895 -0.090488 0.462935
C 1.479659 -1.256189 -1.654958
C 2.942886 0.650826 -0.179317
C 2.506021 -0.511253 -2.275968
C 3.241263 0.445556 -1.545307
C 0.191818 -2.046305 1.797179
C 3.340310 2.265142 1.650898
C 2.051686 2.841028 1.738785
C 4.298623 2.455945 2.668770
C 1.722854 3.607561 2.878810
C 3.956770 3.229459 3.799862
C 2.668910 3.804077 3.912105
H -4.193167 0.915430 -0.784519
H -2.645023 0.776086 0.092314
H -5.143105 -1.108512 -1.821623
H -3.995095 -2.372191 -2.355788
H -5.199440 -0.823875 0.784530
H -3.650894 -0.893875 1.660266
H -3.910696 0.573765 -3.295049
H -2.822386 -0.730131 -3.827739
H -3.870639 1.571069 2.259816
H -5.426889 1.647793 1.381887
H -5.273979 0.640065 2.848535
H -4.804446 -1.989112 -4.814701
H -5.903125 -0.685372 -4.277401
H -4.667227 -0.356702 -5.523378
H -0.042377 -2.818018 -0.165644
H 1.722554 0.054583 1.529207
H 0.897076 -1.990547 -2.221230
H 2.737029 -0.676581 -3.333424
H 4.044619 1.029171 -2.004377
H 1.326214 2.701922 0.930992
H 5.287843 2.001615 2.560035
H 0.726566 4.057079 2.953957
H 4.696075 3.378759 4.594255
H 2.406229 4.399445 4.792778


