%chk=000180132.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180132

0 1
O -1.517407 0.581426 -0.513775
O -8.393680 0.705236 -0.784172
O -2.266818 -1.187012 0.781528
O 8.933300 1.038950 0.503030
O 8.875018 -1.060058 -0.014117
N -3.710859 0.296419 -0.355842
N 8.338780 0.013693 0.209571
C 2.613582 0.261859 -0.148480
C 4.086678 0.197840 -0.055551
C 2.002883 1.214618 -0.986050
C 1.820988 -0.625533 0.596031
C 4.821718 1.347779 0.286086
C 4.756423 -1.013175 -0.308698
C -0.148442 0.379863 -0.321934
C 0.616593 1.280973 -1.084245
C 0.427184 -0.573263 0.519283
C 6.866287 0.077222 0.118249
C 6.210576 1.292144 0.375435
C 6.145230 -1.078156 -0.224197
C -5.000554 -0.223606 -0.006916
C -6.111318 0.450899 -0.534959
C -7.390217 -0.036449 -0.209452
C -5.154304 -1.349740 0.820493
C -2.497277 -0.240526 0.073277
C -7.574930 -1.157433 0.613392
C -6.441175 -1.799723 1.118176
C -9.764468 0.309460 -0.528722
H 2.619661 1.900307 -1.569383
H 2.292966 -1.361332 1.250026
H 4.300816 2.283897 0.491788
H 4.186092 -1.902461 -0.581207
H 0.122453 2.005374 -1.729124
H -0.188683 -1.265055 1.102865
H 6.795358 2.179189 0.643686
H 6.679922 -2.014106 -0.421623
H -6.024372 1.322932 -1.176518
H -3.680028 1.121878 -0.967104
H -4.283885 -1.869627 1.227713
H -8.563506 -1.526106 0.859060
H -6.563646 -2.674402 1.760759
H -9.987732 0.382017 0.539540
H -9.948537 -0.695406 -0.919437
H -10.323471 1.062695 -1.099984


%chk=000180132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180132

0 1
O -1.551648 0.539515 -0.425126
O -8.472973 0.835257 -0.768044
O -2.323118 -1.378382 0.774508
O 9.112634 1.196656 0.174970
O 9.037517 -1.084406 0.211106
N -3.757289 0.196435 -0.264272
N 8.467837 0.075570 0.161778
C 2.684933 0.264741 -0.134576
C 4.168600 0.215380 -0.059225
C 2.017909 1.332660 -0.800241
C 1.882202 -0.748928 0.455658
C 4.941727 1.413137 -0.031116
C 4.860616 -1.030363 -0.011852
C -0.153907 0.356811 -0.271685
C 0.615982 1.380153 -0.872687
C 0.474140 -0.719119 0.400314
C 6.992254 0.123229 0.085831
C 6.344483 1.377832 0.039869
C 6.262654 -1.086326 0.061514
C -5.060269 -0.301545 0.027734
C -6.152272 0.443688 -0.472983
C -7.475292 0.014599 -0.221521
C -5.283022 -1.484220 0.784021
C -2.544775 -0.342703 0.109537
C -7.718710 -1.161561 0.530830
C -6.610787 -1.890193 1.020207
C -9.867696 0.446140 -0.543181
H 2.599734 2.116226 -1.297119
H 2.359191 -1.567248 1.005764
H 4.434864 2.383380 -0.030495
H 4.294649 -1.965742 -0.066445
H 0.102880 2.192881 -1.394866
H -0.121685 -1.500247 0.872618
H 6.943060 2.291892 0.071267
H 6.800570 -2.037455 0.089298
H -6.005206 1.358191 -1.058490
H -3.696603 1.057719 -0.811830
H -4.438500 -2.057075 1.169083
H -8.735063 -1.508557 0.735165
H -6.789324 -2.800752 1.602741
H -10.112844 0.433825 0.536477
H -10.085022 -0.545216 -0.985778
H -10.465230 1.217621 -1.050261


