%chk=000203234.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203234

0 1
O 2.906848 0.094281 2.200800
N -3.108371 0.216423 -0.533408
N 2.540591 0.155677 -0.092606
C -3.852253 -1.042394 -0.864736
C -3.936417 1.054746 0.393797
C -5.165210 -1.021486 -0.061948
C -5.341080 0.427248 0.420289
C -1.708637 0.155663 -0.330993
C 3.339729 0.170905 -1.352613
C 4.815532 0.130615 -0.893309
C 1.104904 0.175057 -0.153943
C 4.792979 0.051902 0.640509
C 0.355931 1.202074 0.471696
C 3.328757 0.095339 1.061483
C -1.038577 1.178520 0.377814
C -0.943117 -0.862442 -0.949840
C 0.442878 -0.849722 -0.850212
C 1.029395 2.286767 1.241971
H -3.262515 -1.955431 -0.644374
H -4.048220 -1.024910 -1.959051
H -3.956469 2.088319 -0.011559
H -3.504222 1.099466 1.415941
H -5.110963 -1.715405 0.795766
H -6.018899 -1.349801 -0.677175
H -6.026564 0.978892 -0.248084
H -5.782798 0.469756 1.429144
H 3.109858 1.086880 -1.934746
H 3.082986 -0.701480 -1.987112
H 5.358662 1.027959 -1.236438
H 5.340499 -0.736754 -1.328684
H 5.343389 0.885639 1.112674
H 5.260072 -0.875504 1.019972
H -1.603283 1.973038 0.857995
H -1.427502 -1.656377 -1.510178
H 1.020427 -1.648815 -1.315411
H 1.500115 1.863079 2.153154
H 1.834037 2.760027 0.663667
H 0.343707 3.077050 1.565946


%chk=000203234-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203234

0 1
O 3.055203 0.099850 2.206753
N -3.103114 -0.033217 -0.107040
N 2.591250 0.166445 -0.122780
C -3.879825 -1.140193 -0.702672
C -3.963453 0.985500 0.529304
C -5.312436 -0.915477 -0.161685
C -5.385043 0.620334 0.039181
C -1.712231 0.021268 -0.111671
C 3.345439 0.025699 -1.395893
C 4.791587 0.430935 -1.004602
C 1.151101 0.140265 -0.095039
C 4.880871 0.059687 0.495459
C 0.400408 1.141157 0.590609
C 3.427534 0.118162 1.000141
C -1.009491 1.056892 0.577723
C -0.936669 -0.952823 -0.814502
C 0.465936 -0.886805 -0.789828
C 1.078607 2.285623 1.316995
H -3.472880 -2.123644 -0.395317
H -3.854514 -1.099500 -1.813894
H -3.669742 2.007586 0.219305
H -3.891440 0.938699 1.638219
H -5.432227 -1.429960 0.809411
H -6.085159 -1.297047 -0.850208
H -5.590331 1.119818 -0.925585
H -6.165888 0.924716 0.756322
H 2.906572 0.674688 -2.173100
H 3.308996 -1.021101 -1.762845
H 4.919993 1.520373 -1.132703
H 5.546059 -0.078580 -1.626955
H 5.515933 0.735413 1.090812
H 5.258069 -0.969366 0.650658
H -1.572986 1.820582 1.123830
H -1.427069 -1.755500 -1.373090
H 1.043191 -1.656632 -1.315273
H 1.547570 1.924716 2.250335
H 1.889637 2.722606 0.704513
H 0.356739 3.083628 1.561308


