%chk=000194372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194372

0 1
O -3.657943 -1.898179 -0.889411
N 2.647073 -0.314155 0.475326
N 0.585667 2.512060 0.808570
N -0.530605 3.102427 0.419568
N -2.721163 3.148716 -0.486602
N -3.994215 2.944668 0.134172
C 3.009197 0.368385 -0.812809
C 3.861508 -0.915091 1.126428
C 3.639808 -0.644207 -1.781838
C 4.496897 -1.950298 0.183545
C 4.871226 -1.314117 -1.160645
C 1.997683 0.651258 1.425906
C 0.693400 1.172351 0.868163
C -0.393959 0.316521 0.456704
C -1.592265 0.936097 0.000697
C -0.308339 -1.107924 0.464210
C -1.610309 2.390974 0.022905
C -2.664396 0.140740 -0.460572
C -1.361507 -1.884208 0.041996
C -2.541720 -1.243631 -0.428468
C -3.630527 -3.345773 -0.947318
H 3.692947 1.231325 -0.661592
H 2.073850 0.775121 -1.257644
H 3.535530 -1.416816 2.062681
H 4.617340 -0.151286 1.411111
H 3.910223 -0.133561 -2.724260
H 2.889658 -1.415212 -2.048426
H 3.784922 -2.782698 0.015462
H 5.388094 -2.392157 0.665022
H 5.275759 -2.080900 -1.846635
H 5.678946 -0.571032 -1.019766
H 2.660330 1.511008 1.694650
H 1.781859 0.112154 2.378498
H 0.626041 -1.576355 0.798612
H -3.561936 0.588853 -0.882017
H -1.287945 -2.968087 0.054446
H -2.526955 4.173849 -0.462156
H -3.925546 2.544243 1.075809
H -4.512973 2.262368 -0.435372
H -2.841944 -3.685492 -1.624832
H -4.624238 -3.568360 -1.360336
H -3.521677 -3.764977 0.056720


%chk=000194372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194372

0 1
O -3.852651 -1.972781 -0.557609
N 2.717486 -0.314851 0.425258
N 0.606306 2.432039 1.060260
N -0.558187 3.077245 0.676604
N -2.727339 3.216860 -0.014661
N -3.845883 2.955933 -0.818491
C 3.138216 0.509961 -0.739218
C 3.869606 -1.048552 1.012827
C 3.767664 -0.368403 -1.838182
C 4.517855 -1.979499 -0.031169
C 4.959189 -1.179306 -1.278384
C 2.007674 0.495757 1.455582
C 0.690707 1.081937 0.975941
C -0.415403 0.264383 0.532104
C -1.665245 0.910654 0.191845
C -0.332958 -1.159459 0.457450
C -1.653360 2.366085 0.271250
C -2.786244 0.108776 -0.163624
C -1.439640 -1.934358 0.099499
C -2.679283 -1.291387 -0.201664
C -3.807262 -3.437509 -0.607769
H 3.874303 1.294020 -0.420834
H 2.251507 1.040393 -1.129541
H 3.503883 -1.636961 1.876716
H 4.645515 -0.337035 1.402452
H 4.093419 0.274591 -2.678403
H 2.996191 -1.061723 -2.226591
H 3.779420 -2.749396 -0.329196
H 5.381360 -2.500492 0.425714
H 5.366813 -1.858384 -2.051187
H 5.776097 -0.483077 -0.995802
H 2.622075 1.354241 1.816496
H 1.822825 -0.169820 2.323353
H 0.636586 -1.626964 0.650555
H -3.752470 0.549712 -0.407452
H -1.345122 -3.023231 0.050464
H -2.488334 4.205862 0.114791
H -4.648190 2.548520 -0.335497
H -3.658255 2.608739 -1.763074
H -3.085432 -3.792868 -1.368200
H -4.824287 -3.744221 -0.892086
H -3.551358 -3.866831 0.379973


