%chk=000229834.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229834

0 1
O 0.664970 -1.105600 -1.192279
N 0.936946 0.875780 -0.132094
N 4.707276 0.800094 -0.147378
C -1.206045 -0.363981 0.221014
C -0.943875 -1.086278 1.571325
C -1.782462 1.041819 0.388883
C -2.234707 -1.178631 -0.565394
C 0.189718 -0.253049 -0.456027
C 2.319369 1.039337 -0.640582
C 3.341322 0.525228 0.399465
C -1.979856 1.639736 1.639162
C -1.931781 -1.908328 -1.719162
C -2.121032 1.758897 -0.774406
C -3.557095 -1.193882 -0.078322
C -0.376369 -2.468555 1.414249
C 5.139917 -0.277616 -1.098218
C 5.703137 1.056948 0.933150
C -2.506850 2.934118 1.726828
C -2.928932 -2.636915 -2.378547
C -2.644379 3.048239 -0.683382
C -4.547907 -1.921768 -0.736392
C -2.838417 3.641358 0.570043
C -4.236997 -2.647287 -1.892534
C 6.266565 0.236604 -1.995290
C 5.948434 -0.090125 1.917510
C -0.160030 -3.277287 2.449502
H -0.256892 -0.478342 2.196772
H -1.898284 -1.147806 2.138867
H 2.502852 2.111474 -0.869816
H 2.432995 0.477168 -1.599415
H 0.590335 1.596630 0.491824
H 3.203726 1.064449 1.359847
H 3.156642 -0.549344 0.614699
H -1.735753 1.111877 2.559083
H -0.910443 -1.930484 -2.118383
H -1.979407 1.297863 -1.753731
H -3.814859 -0.627890 0.816157
H -0.145134 -2.771971 0.386430
H 4.266098 -0.556198 -1.731399
H 5.458756 -1.206539 -0.577466
H 6.660590 1.337371 0.438114
H 5.365957 1.963137 1.484338
H -2.659616 3.387756 2.705173
H -2.675093 -3.200049 -3.275445
H -2.905107 3.593527 -1.589855
H -5.565365 -1.925156 -0.349977
H -3.248290 4.647119 0.640220
H -5.009702 -3.214941 -2.405723
H 6.457455 -0.458713 -2.819298
H 7.203459 0.368036 -1.443391
H 6.008035 1.211052 -2.431084
H 6.713494 0.180888 2.652889
H 6.295577 -0.994963 1.404899
H 5.042510 -0.357392 2.471168
H 0.250316 -4.270796 2.340456
H -0.374472 -3.022815 3.475623


%chk=000229834-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229834

0 1
O 1.094454 -1.854757 0.481351
N 0.833055 0.149045 -0.649264
N 4.574106 0.849249 -0.648640
C -1.150534 -0.759685 0.570627
C -1.406796 -1.762690 1.764842
C -1.403544 0.700738 1.036723
C -2.072562 -1.166305 -0.604520
C 0.360136 -0.873621 0.144952
C 2.220317 0.183883 -1.139792
C 3.177822 0.919859 -0.163639
C -1.010595 1.124065 2.335296
C -1.580804 -1.787951 -1.777885
C -1.946830 1.677901 0.157929
C -3.477228 -1.001931 -0.469621
C -1.433151 -3.230435 1.390025
C 5.256291 -0.415529 -0.269510
C 5.363505 2.087740 -0.438176
C -1.164032 2.467004 2.743210
C -2.463450 -2.219658 -2.795193
C -2.097519 3.023703 0.562332
C -4.360742 -1.433648 -1.479952
C -1.707378 3.426914 1.858907
C -3.856974 -2.043671 -2.653108
C 6.498246 -0.716405 -1.129224
C 5.712697 2.443203 1.034029
C -2.471478 -4.062927 1.649518
H -0.600209 -1.619406 2.509299
H -2.364954 -1.485154 2.242931
H 2.250482 0.681374 -2.124976
H 2.556214 -0.859105 -1.267390
H 0.228298 0.956787 -0.814130
H 2.874295 1.982301 -0.096524
H 3.048130 0.480102 0.852786
H -0.576291 0.405963 3.038228
H -0.504717 -1.947708 -1.903932
H -2.278228 1.379724 -0.843060
H -3.881530 -0.531266 0.434344
H -0.520163 -3.610052 0.914788
H 4.526538 -1.235678 -0.400747
H 5.538926 -0.428827 0.812783
H 6.298105 2.006278 -1.023948
H 4.791998 2.923468 -0.886500
H -0.856330 2.764114 3.752294
H -2.059534 -2.699014 -3.694219
H -2.524592 3.753092 -0.135441
H -5.440725 -1.297387 -1.352023
H -1.826578 4.468780 2.176063
H -4.541399 -2.380530 -3.439749
H 6.903651 -1.713195 -0.875722
H 7.305458 0.020959 -0.968081
H 6.231317 -0.706193 -2.200838
H 6.273078 3.396156 1.073216
H 6.340901 1.664852 1.503908
H 4.799557 2.561224 1.646499
H -2.431992 -5.126642 1.388662
H -3.395423 -3.705305 2.122964


