%chk=000238532.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238532

0 1
O 0.431452 0.661721 -1.657038
O -0.441356 0.607177 1.671452
N 0.698402 -1.071555 -0.168976
N -0.677568 -1.088340 0.135330
C 2.699334 0.119557 -1.037585
C -2.699372 0.040305 1.037752
C 3.383838 0.172347 0.299498
C -3.385379 0.123399 -0.297054
C 1.194318 -0.001221 -0.982520
C -1.192424 -0.050558 0.978890
C 2.779833 0.803914 1.397165
C -2.791605 0.796138 -1.375619
C 4.661014 -0.392786 0.436921
C -4.654417 -0.455826 -0.450735
C 3.450431 0.865340 2.621164
C -3.464076 0.884223 -2.596997
C 5.326491 -0.324941 1.664066
C -5.321853 -0.361120 -1.674996
C 4.723764 0.303061 2.758182
C -4.729200 0.307845 -2.750204
H 2.949704 1.050648 -1.605514
H 3.100129 -0.709888 -1.663970
H -2.966814 0.947732 1.635395
H -3.084477 -0.816331 1.636793
H 1.780900 1.244872 1.312839
H -1.799227 1.249154 -1.278720
H 5.139700 -0.882124 -0.408681
H -5.125224 -0.977009 0.380129
H 1.267096 -1.371135 0.641267
H -1.240989 -1.374536 -0.683400
H 2.974199 1.354524 3.471142
H -2.995669 1.405392 -3.432186
H 6.318113 -0.763449 1.766535
H -6.307130 -0.810667 -1.790075
H 5.243263 0.354568 3.712910
H -5.250202 0.380166 -3.702757


%chk=000238532-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238532

0 1
O 0.582232 1.330524 -1.746562
O -0.608714 1.269564 1.788086
N 0.696514 -0.299745 -0.086945
N -0.693489 -0.314407 0.082409
C 2.807484 0.737070 -0.880452
C -2.822497 0.663922 0.900855
C 3.479410 0.267886 0.404120
C -3.483744 0.222136 -0.398907
C 1.273617 0.645445 -0.942146
C -1.287384 0.596240 0.963223
C 3.073024 0.781430 1.667026
C -3.082767 0.779337 -1.644948
C 4.551528 -0.659154 0.358756
C -4.540480 -0.723389 -0.384104
C 3.730311 0.376126 2.849575
C -3.730424 0.398444 -2.840832
C 5.210314 -1.064236 1.542419
C -5.189714 -1.103957 -1.581115
C 4.801595 -0.546386 2.792523
C -4.786606 -0.542686 -2.814183
H 3.031241 1.802849 -1.073669
H 3.202589 0.179168 -1.750800
H -3.064273 1.719628 1.125121
H -3.209970 0.073713 1.753141
H 2.235522 1.487760 1.727299
H -2.256722 1.500595 -1.682094
H 4.875265 -1.062864 -0.608687
H -4.859807 -1.160856 0.570035
H 1.252884 -0.720260 0.662384
H -1.242356 -0.722908 -0.679010
H 3.403889 0.780035 3.814220
H -3.408255 0.835913 -3.792175
H 6.038498 -1.779663 1.487843
H -6.006110 -1.834185 -1.550062
H 5.310774 -0.857633 3.711383
H -5.288377 -0.834858 -3.743322


