%chk=000267119.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267119

0 1
O -1.075318 -2.553499 -1.604085
O -3.052233 -2.705979 -0.761702
O 5.232555 -1.940956 1.894419
O 6.220647 -1.526658 0.015777
O -5.303368 1.028050 1.555269
N -4.169395 -0.671241 0.465564
N -2.017195 -2.077304 -0.995508
N 5.290174 -1.408750 0.797360
C 0.832233 1.972667 -0.760138
C -0.485849 1.284054 -0.405787
C 2.006763 1.058117 -0.389199
C 0.777804 2.287920 -2.266126
C 1.052147 3.281375 0.021854
C -0.699354 -0.028938 -0.799106
C -1.528990 1.957457 0.271384
C 1.999794 0.414173 0.863328
C 3.107591 0.884776 -1.241279
C -1.916995 -0.699314 -0.523995
C -2.724514 1.325736 0.555965
C -2.956385 -0.020692 0.172535
C 3.063465 -0.392809 1.256337
C 4.181086 0.078022 -0.861846
C 4.154796 -0.557425 0.387563
C -5.294895 -0.112375 1.149341
C -6.427283 -1.081013 1.297136
H 1.639766 2.879701 -2.593989
H 0.743518 1.377125 -2.875483
H -0.119987 2.869821 -2.511238
H 2.039931 3.708105 -0.196535
H 0.312860 4.045059 -0.244829
H 1.004269 3.125951 1.105902
H 0.083267 -0.584846 -1.336373
H -1.398277 2.999381 0.577949
H 1.150316 0.545004 1.536641
H 3.141796 1.380023 -2.212667
H -3.515426 1.875574 1.088305
H 3.061435 -0.898278 2.228400
H 5.040948 -0.063133 -1.526230
H -4.246977 -1.666319 0.145685
H -6.822764 -1.423639 0.328809
H -7.266351 -0.603963 1.833760
H -6.149106 -1.976360 1.873733


%chk=000267119-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267119

0 1
O -1.134959 -2.556834 -1.707101
O -3.219599 -2.693818 -0.819469
O 5.401364 -1.836288 2.020699
O 6.310117 -1.611550 -0.060221
O -5.431114 1.013179 1.648629
N -4.237813 -0.642542 0.465631
N -2.107556 -2.033789 -1.045411
N 5.383499 -1.383100 0.810743
C 0.850801 1.978275 -0.749569
C -0.485904 1.295997 -0.367808
C 2.036680 1.050663 -0.387128
C 0.790623 2.302033 -2.272446
C 1.067332 3.319426 0.015363
C -0.739320 -0.018809 -0.799797
C -1.519748 1.952271 0.355256
C 2.118410 0.514336 0.929337
C 3.084286 0.756945 -1.297379
C -1.970305 -0.661972 -0.530042
C -2.747533 1.331343 0.636588
C -3.019975 0.002027 0.202081
C 3.203919 -0.281540 1.332204
C 4.182866 -0.040711 -0.916020
C 4.229773 -0.547818 0.398006
C -5.363388 -0.145751 1.149138
C -6.505026 -1.152944 1.227025
H 1.680236 2.871551 -2.597424
H 0.712762 1.386844 -2.885913
H -0.098571 2.922228 -2.481401
H 2.056389 3.735418 -0.243863
H 0.304738 4.067296 -0.268188
H 1.036936 3.181784 1.110721
H 0.014576 -0.587449 -1.351939
H -1.370834 2.974560 0.715716
H 1.312874 0.717161 1.643706
H 3.051173 1.146761 -2.318205
H -3.526229 1.853305 1.195086
H 3.273997 -0.697347 2.340630
H 4.993434 -0.274940 -1.611203
H -4.272515 -1.607367 0.088365
H -6.849169 -1.442142 0.217050
H -7.342449 -0.698491 1.774879
H -6.188276 -2.073601 1.750575


