%chk=000227526.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227526

0 1
O -5.081595 0.432311 0.711377
O 1.079867 -2.614249 -1.066846
N 3.885842 1.094239 -0.280261
N -0.328079 0.628774 1.991483
N 4.380843 0.314515 -1.393943
N 1.681895 1.036622 0.836870
N 0.326236 -1.010137 0.403884
C -2.707046 0.494189 1.251028
C -1.641548 -0.018765 2.227307
C -4.059900 -0.175149 1.515053
C 2.584975 0.539726 0.017178
C -5.103707 0.054734 -0.695587
C 2.485531 -0.731893 -0.710573
C 0.543034 0.158105 1.031315
C 3.598531 -0.864285 -1.490769
C 1.262321 -1.558470 -0.504371
C -5.652908 -1.361493 -0.842172
C -6.017401 1.113884 -1.304360
C 3.988583 2.559613 -0.490592
H -2.822392 1.592881 1.318130
H -2.385062 0.291301 0.207265
H -1.930584 0.185470 3.282143
H -1.527795 -1.127933 2.121105
H -4.024969 -1.264049 1.340404
H -4.432482 0.025885 2.537625
H -4.069825 0.127257 -1.098982
H -0.203533 1.580255 2.334440
H 3.880920 -1.671622 -2.159473
H 5.403826 0.258565 -1.408722
H -5.898504 -1.592449 -1.883677
H -4.933674 -2.113848 -0.499886
H -6.566364 -1.489908 -0.247946
H -6.127799 0.978047 -2.383792
H -5.623636 2.120840 -1.118253
H -7.016491 1.079960 -0.850543
H 3.502704 2.918334 -1.413600
H 5.050148 2.857509 -0.506225
H 3.502239 3.061034 0.372666


%chk=000227526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227526

0 1
O -5.137346 0.454238 0.694384
O 0.679628 -2.274561 -1.506965
N 3.788833 1.104923 -0.461471
N -0.287017 0.770966 1.943729
N 4.247565 0.364392 -1.571779
N 1.749760 1.074142 0.859717
N 0.167788 -0.754720 0.225898
C -2.714513 0.681397 1.280957
C -1.596181 0.165677 2.219337
C -4.057896 -0.015341 1.573677
C 2.544741 0.589797 -0.099824
C -5.165227 -0.183276 -0.648383
C 2.273003 -0.539058 -0.965466
C 0.556548 0.319143 0.956976
C 3.348436 -0.655674 -1.839097
C 0.990550 -1.271554 -0.788862
C -5.827839 -1.573160 -0.575070
C -5.938588 0.791656 -1.545169
C 4.409669 2.347271 -0.017123
H -2.840559 1.775095 1.393469
H -2.400364 0.479695 0.240747
H -1.853075 0.368077 3.277210
H -1.489802 -0.925609 2.085127
H -3.936060 -1.118280 1.502500
H -4.404974 0.224806 2.596246
H -4.124188 -0.289814 -1.022883
H 0.018297 1.607018 2.442574
H 3.534648 -1.380434 -2.628297
H 5.225065 0.436831 -1.849939
H -5.831123 -2.054440 -1.570915
H -5.287829 -2.243301 0.118137
H -6.871054 -1.477200 -0.224095
H -6.040275 0.385481 -2.568057
H -5.420302 1.764464 -1.597346
H -6.949128 0.960792 -1.131560
H 4.418105 3.109602 -0.818026
H 5.437375 2.179280 0.353058
H 3.785533 2.711480 0.815285


