%chk=000274924.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274924

0 1
O 3.762962 1.660634 -0.825386
N 3.581043 -0.383933 0.216060
N -0.956374 2.606805 0.034856
N 2.525719 -3.000152 0.030948
N -1.948749 3.534683 0.121290
C -0.600300 -0.978151 -0.002903
C -0.064214 0.346992 0.041900
C -2.068815 -0.884089 -0.025079
C -2.431758 0.504672 0.005675
C -1.188522 1.325193 0.035441
C 0.238250 -2.078048 -0.027892
C 1.300922 0.563159 0.085935
C 2.162966 -0.555128 0.090513
C 1.636263 -1.872527 0.000479
C -3.039665 -1.870162 -0.061298
C -3.765012 0.875862 0.012760
C -4.393335 -1.479457 -0.064744
C -4.748363 -0.133733 -0.026982
C 4.297815 0.742125 -0.238373
C 5.770674 0.682238 0.064443
H -0.169667 -3.084701 -0.068990
H 1.707975 1.581728 0.108267
H -2.771228 -2.923286 -0.083825
H -4.067160 1.919660 0.058872
H -5.167241 -2.245243 -0.093665
H -5.799612 0.150657 -0.023624
H 4.066339 -1.125568 0.726476
H 3.249915 -2.948151 -0.680858
H 2.043621 -3.889410 -0.055838
H -2.876215 3.315476 -0.246124
H -1.613825 4.446646 -0.194305
H 5.975061 0.660316 1.143088
H 6.267138 1.582461 -0.336255
H 6.262791 -0.184568 -0.393663


%chk=000274924-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274924

0 1
O 3.934732 1.920852 -0.352009
N 3.581479 -0.365525 0.051092
N -0.989969 2.652913 -0.058221
N 2.600748 -2.891787 -0.131395
N -1.997834 3.561855 -0.056336
C -0.615300 -0.941246 -0.040382
C -0.096764 0.389053 -0.054048
C -2.084333 -0.863029 -0.018707
C -2.474702 0.525407 -0.020290
C -1.229531 1.343955 -0.044702
C 0.259931 -2.044742 -0.081092
C 1.287757 0.637689 -0.059517
C 2.166541 -0.473115 -0.054435
C 1.655067 -1.817632 -0.105076
C -3.053186 -1.885381 0.002603
C -3.849845 0.856445 0.001937
C -4.425105 -1.537469 0.022395
C -4.818822 -0.177392 0.022270
C 4.379723 0.771784 -0.056173
C 5.865583 0.530323 0.213447
H -0.121365 -3.072292 -0.120289
H 1.687747 1.652340 -0.056519
H -2.753397 -2.939484 0.005235
H -4.211516 1.890270 0.005502
H -5.188667 -2.323055 0.038762
H -5.883695 0.079697 0.038538
H 4.030483 -1.245973 0.331092
H 3.245765 -2.913968 -0.927110
H 2.234024 -3.812095 0.117023
H -2.992202 3.327205 -0.053122
H -1.706742 4.534249 -0.073587
H 6.171555 1.120913 1.094827
H 6.449620 0.901122 -0.646137
H 6.121621 -0.528887 0.391622


