%chk=000257359.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257359

0 1
O -1.098212 0.358616 0.589167
O 3.109068 2.124947 -1.830722
N -1.888607 2.483675 0.375059
N 1.118561 1.276746 -1.112936
C -0.555482 3.111539 0.613953
C 0.100095 3.541766 -0.713115
C 0.334997 2.385370 -1.700050
C -0.733572 4.313944 1.546553
C -3.474587 0.615989 0.180685
C -2.054768 1.099780 0.395412
C -3.515311 -0.913440 0.057532
C 3.180489 0.099077 -0.497161
C 2.511767 1.268919 -1.194746
C 4.692798 0.329796 -0.384922
C -4.932695 -1.396145 -0.083114
C 5.378886 -0.888440 0.168267
C -5.690607 -1.701380 1.057786
C -5.507874 -1.538231 -1.355079
C 5.528706 -1.047821 1.554555
C 5.868918 -1.877541 -0.698486
C -7.008864 -2.145363 0.925202
C -6.826675 -1.982695 -1.482117
C 6.163888 -2.182795 2.065424
C 6.503458 -3.010432 -0.182572
C -7.579909 -2.286437 -0.343670
C 6.652577 -3.166044 1.199310
H 0.096825 2.343722 1.118163
H 1.075437 4.022919 -0.485609
H -0.504762 4.321158 -1.213044
H -0.634325 1.973005 -2.055851
H 0.879205 2.779097 -2.594157
H -2.658360 3.109983 0.170607
H 0.238834 4.751355 1.807087
H -1.216294 4.023874 2.488273
H -1.334715 5.112573 1.099029
H -4.114778 0.939923 1.029312
H -3.920436 1.075721 -0.724927
H 0.602072 0.647265 -0.485330
H -3.020583 -1.373811 0.941149
H -2.894299 -1.240270 -0.803196
H 2.979902 -0.831372 -1.071419
H 2.747292 -0.076134 0.508236
H 4.893556 1.220660 0.245676
H 5.101502 0.602976 -1.383762
H -5.250760 -1.597087 2.047686
H -4.926422 -1.307050 -2.245148
H 5.150711 -0.286565 2.233487
H 5.756039 -1.761393 -1.774723
H -7.592149 -2.384003 1.813199
H -7.267817 -2.094448 -2.471354
H 6.278607 -2.301014 3.141460
H 6.883316 -3.773793 -0.859443
H -8.605805 -2.633778 -0.444766
H 7.147361 -4.048114 1.598752


%chk=000257359-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257359

0 1
O -1.006907 0.301297 0.541192
O 3.109812 1.826965 -2.185980
N -1.834780 2.471904 0.375165
N 1.130420 1.165883 -1.152317
C -0.519521 3.158972 0.462891
C 0.091096 3.447685 -0.935104
C 0.305735 2.188769 -1.810260
C -0.673297 4.448986 1.293762
C -3.440633 0.596117 0.469123
C -1.997022 1.104894 0.459222
C -3.624380 -0.639059 -0.458433
C 3.184926 -0.103102 -0.661459
C 2.483853 1.048895 -1.393787
C 4.575344 0.328615 -0.117336
C -5.014839 -1.242330 -0.329646
C 5.371145 -0.850225 0.420606
C -5.318128 -2.131986 0.734418
C -6.045574 -0.909385 -1.245298
C 5.345282 -1.184681 1.799205
C 6.133719 -1.666904 -0.455671
C -6.614944 -2.672368 0.880947
C -7.345404 -1.447502 -1.103409
C 6.056938 -2.303041 2.290887
C 6.847095 -2.785572 0.029778
C -7.635080 -2.330237 -0.037662
C 6.810277 -3.109203 1.406607
H 0.149995 2.455896 0.992213
H 1.069377 3.943193 -0.785624
H -0.557616 4.161808 -1.483254
H -0.669887 1.738797 -2.072866
H 0.818958 2.482417 -2.742309
H -2.669939 3.056627 0.292895
H 0.305253 4.947120 1.406736
H -1.067719 4.230353 2.301859
H -1.355164 5.167805 0.798093
H -3.683343 0.295659 1.507253
H -4.155025 1.394595 0.191100
H 0.645704 0.564821 -0.468565
H -2.845463 -1.374215 -0.186968
H -3.432937 -0.335490 -1.505035
H 3.331158 -0.924155 -1.390959
H 2.553107 -0.506124 0.152275
H 4.430467 1.087989 0.674583
H 5.109996 0.826218 -0.946819
H -4.528525 -2.411486 1.443835
H -5.825940 -0.231876 -2.080429
H 4.766009 -0.560737 2.491871
H 6.172542 -1.416200 -1.523474
H -6.828914 -3.363411 1.704288
H -8.127450 -1.183794 -1.824623
H 6.027178 -2.542788 3.360203
H 7.434564 -3.400893 -0.661600
H -8.640572 -2.751663 0.072151
H 7.365253 -3.975054 1.785331


