%chk=000189923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189923

0 1
O 0.311462 0.544418 -0.380669
N 6.940640 0.319327 0.733009
N -7.015883 0.858559 0.733178
C -0.451053 -0.670800 -0.709546
C 0.039713 -1.868340 0.107419
C 1.525980 -2.119404 -0.167048
C 2.310671 -0.847037 -0.044537
C -1.884094 -0.312784 -0.391304
C 1.657807 0.400113 -0.158603
C 3.686637 -0.852475 0.187491
C 2.348271 1.619881 -0.032464
C -2.918047 -0.945478 -1.098601
C -2.184479 0.627552 0.603477
C 4.389746 0.359504 0.307589
C 3.718227 1.593020 0.201292
C -4.248879 -0.644457 -0.807942
C -3.513418 0.938005 0.896431
C -4.546137 0.298206 0.191484
C 5.799711 0.337766 0.542863
C -5.913265 0.608875 0.491226
H -0.290598 -0.816583 -1.803073
H -0.561147 -2.766928 -0.129863
H -0.118482 -1.676778 1.189745
H 1.668884 -2.547723 -1.182327
H 1.911678 -2.885614 0.537673
H 4.222766 -1.798984 0.278781
H 1.802690 2.558076 -0.123102
H -2.688811 -1.671968 -1.878005
H -1.369583 1.124577 1.137675
H 4.275341 2.526728 0.300590
H -5.055849 -1.135017 -1.354258
H -3.748999 1.672960 1.667818


%chk=000189923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189923

0 1
O 0.336345 0.619640 -0.264505
N 7.132378 0.183710 0.528694
N -7.220340 0.690999 0.619404
C -0.457898 -0.591458 -0.610712
C 0.029629 -1.801111 0.221021
C 1.510085 -2.097402 -0.099983
C 2.345632 -0.826471 -0.028907
C -1.917552 -0.256473 -0.368479
C 1.720056 0.450106 -0.104038
C 3.744712 -0.869273 0.136297
C 2.474104 1.644521 -0.002871
C -2.917659 -0.893542 -1.144604
C -2.304463 0.638577 0.659195
C 4.518570 0.318288 0.227341
C 3.865910 1.583226 0.160657
C -4.282622 -0.657344 -0.894920
C -3.666541 0.887129 0.914753
C -4.667882 0.236186 0.142309
C 5.944853 0.244997 0.392041
C -6.062168 0.485441 0.402361
H -0.289422 -0.799207 -1.688185
H -0.603937 -2.676710 -0.007004
H -0.102109 -1.566423 1.294090
H 1.587666 -2.543423 -1.112344
H 1.909486 -2.849822 0.604061
H 4.247495 -1.840874 0.204051
H 1.950415 2.602984 -0.061557
H -2.630063 -1.575089 -1.954216
H -1.531839 1.151543 1.238671
H 4.454528 2.502388 0.235072
H -5.051842 -1.149987 -1.497478
H -3.964027 1.582073 1.706185


