%chk=000289179.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289179

0 1
O 0.571865 1.372471 -0.053195
O -2.951258 -2.127173 0.006404
N -1.214564 -0.594852 -0.027596
N 3.545608 1.020706 -1.235092
C -0.097597 -1.463953 -0.022481
C 1.218150 -0.914927 -0.033347
C -0.267324 -2.870184 -0.005038
C 2.315819 -1.806589 -0.035632
C 1.460862 0.534780 -0.058639
C -2.583930 -0.971142 -0.041361
C -3.518193 0.198157 -0.092904
C 0.833441 -3.709607 -0.003754
C 2.137317 -3.180297 -0.018086
C 2.895222 1.029499 -0.042425
C -4.577604 0.237753 0.825140
C -3.373451 1.208226 -1.053181
C 3.467502 1.509859 1.146285
C -5.483103 1.301184 0.790769
C -4.286264 2.266255 -1.084852
C -5.336962 2.314862 -0.162447
C 4.774957 2.004935 1.095077
C 4.811024 1.510607 -1.265598
C 5.460502 2.009298 -0.122382
H -0.998405 0.432899 -0.024264
H -1.279565 -3.295738 0.004673
H 3.332024 -1.403952 -0.055281
H 0.691123 -4.792184 0.007696
H 2.994198 -3.849563 -0.020784
H -4.694290 -0.564977 1.555781
H -2.559183 1.171028 -1.778644
H 2.903846 1.506170 2.077481
H -6.305170 1.337370 1.504411
H -4.176836 3.053828 -1.829622
H -6.044894 3.143108 -0.188187
H 5.251485 2.387500 1.998218
H 5.305869 1.495998 -2.244488
H 6.476080 2.393146 -0.189858


%chk=000289179-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289179

0 1
O 0.582185 1.154788 0.052355
O -3.054879 -2.145705 0.012349
N -1.165631 -0.738255 0.010363
N 4.026001 0.211445 -0.531620
C -0.106994 -1.660282 -0.048410
C 1.263283 -1.158818 -0.084275
C -0.340064 -3.065121 -0.070030
C 2.324801 -2.116777 -0.134765
C 1.544763 0.293206 -0.048504
C -2.543413 -0.981186 0.030647
C -3.415905 0.250552 0.080001
C 0.737789 -3.964504 -0.118273
C 2.075129 -3.496149 -0.149047
C 2.932943 0.918058 -0.099131
C -4.815665 0.031393 0.173253
C -2.927002 1.584998 0.033072
C 3.031104 2.284667 0.283307
C -5.711914 1.117348 0.222606
C -3.827543 2.671253 0.081686
C -5.219999 2.443372 0.177358
C 4.281474 2.931786 0.219494
C 5.225442 0.851461 -0.598914
C 5.405961 2.205728 -0.234812
H -0.813342 0.241888 0.049930
H -1.372711 -3.415898 -0.044717
H 3.345432 -1.734189 -0.191742
H 0.531672 -5.040945 -0.130304
H 2.910407 -4.202637 -0.187757
H -5.168722 -1.004522 0.203106
H -1.856811 1.805359 -0.046850
H 2.126365 2.802474 0.609918
H -6.789340 0.933277 0.295428
H -3.441644 3.695816 0.042872
H -5.914034 3.290552 0.214509
H 4.376799 3.981461 0.515719
H 6.067452 0.249834 -0.959269
H 6.394913 2.668776 -0.306756


