%chk=000112974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000112974

1 1
O -2.434255 0.913997 -0.753129
O -1.229811 2.689627 -1.459312
N -4.881330 0.176695 0.502256
N 6.339484 -0.898926 0.105305
N -0.777408 -1.452047 0.610967
C -4.570549 1.576325 0.073138
C -3.650108 1.575866 -1.156355
C 5.082309 -0.412133 -0.114758
C 2.445355 0.610256 -0.561648
C 3.918732 -1.190521 0.201655
C 4.882203 0.898254 -0.671894
C -3.871353 -0.600916 1.019486
C -6.149950 -0.342465 0.337621
C 2.657745 -0.689181 -0.017209
C 3.614090 1.374867 -0.883335
C 1.182825 1.196859 -0.817921
C 6.564111 -2.246927 0.673780
C 7.549092 -0.111254 -0.222107
C -4.113791 -1.931649 1.374953
C -6.415212 -1.661160 0.700312
C -5.391480 -2.470582 1.218670
C -0.095702 0.734917 -0.563078
C -1.207094 1.582119 -0.982226
C -0.437125 -0.481445 0.073030
H -5.508602 2.139474 -0.146394
H -4.073930 2.116021 0.921242
H -4.043670 0.975020 -1.997867
H -3.438686 2.614099 -1.503998
H 4.028068 -2.190173 0.616803
H 5.738316 1.517853 -0.930118
H -2.860827 -0.147717 1.115377
H -6.935058 0.305267 -0.082498
H 1.798523 -1.317280 0.229383
H 3.483908 2.375165 -1.310252
H 1.224580 2.198322 -1.302744
H 7.641739 -2.459052 0.786862
H 6.141456 -3.030946 0.017615
H 6.104630 -2.337099 1.676025
H 7.592696 0.120921 -1.302876
H 8.469118 -0.666718 0.031243
H 7.571746 0.837512 0.346321
H -3.273797 -2.536450 1.758016
H -7.428819 -2.063378 0.570927
H -5.595468 -3.513916 1.493031


%chk=000112974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112974

1 1
O -2.463871 1.275557 -0.238252
O -1.217154 2.623756 -1.693149
N -4.941088 0.111064 0.524751
N 6.376171 -0.961903 0.046724
N -0.811873 -1.044634 1.292714
C -4.743848 1.598191 0.391466
C -3.695336 1.943935 -0.675408
C 5.107091 -0.459387 -0.156187
C 2.442735 0.584613 -0.575493
C 3.963060 -1.026277 0.516080
C 4.875728 0.649513 -1.046243
C -3.981156 -0.631925 1.174651
C -6.038380 -0.494272 -0.047976
C 2.681965 -0.521451 0.311604
C 3.588919 1.143859 -1.240113
C 1.164695 1.172198 -0.846889
C 6.597606 -2.093891 0.969431
C 7.535479 -0.369867 -0.651587
C -4.100023 -2.027687 1.258497
C -6.201631 -1.883023 0.025972
C -5.221779 -2.665746 0.685303
C -0.120215 0.867282 -0.372192
C -1.240758 1.688219 -0.862631
C -0.449627 -0.181576 0.541182
H -5.713502 2.055558 0.135089
H -4.418633 1.982637 1.371977
H -3.981569 1.585553 -1.681615
H -3.551923 3.039022 -0.721003
H 4.093206 -1.867521 1.201099
H 5.709470 1.114721 -1.576870
H -3.123040 -0.097572 1.581218
H -6.756572 0.158190 -0.549083
H 1.848726 -0.986458 0.845963
H 3.441621 1.989715 -1.922653
H 1.169934 2.017353 -1.552009
H 7.669454 -2.337844 0.995508
H 6.049617 -2.996694 0.639714
H 6.278948 -1.843853 1.998944
H 7.417779 -0.431044 -1.749849
H 8.446618 -0.920345 -0.376289
H 7.677662 0.690997 -0.370886
H -3.301250 -2.580231 1.757609
H -7.083259 -2.339071 -0.430022
H -5.333295 -3.752161 0.745199


