%chk=000245621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245621

0 1
O 0.818536 0.411564 2.504812
O -0.332781 0.192334 -2.170661
O 2.268626 3.531117 -0.487236
N 1.533568 1.940509 1.010572
N 0.928302 1.844717 -1.310074
C 0.036549 0.042952 0.232644
C -1.456241 0.096392 0.658958
C 0.574665 -1.406335 0.169723
C -2.393317 -0.757662 -0.198869
C -3.877650 -0.508152 0.149320
C 2.071280 -1.481101 -0.153413
C 0.803914 0.765941 1.348489
C 0.164357 0.648340 -1.166745
C 2.540455 -2.941419 -0.237483
C -4.226975 -1.046796 1.541885
C -4.773700 -1.155429 -0.914740
C 1.629882 2.523361 -0.280775
C 4.030793 -3.032929 -0.553861
H -1.529464 -0.236571 1.719293
H -1.797075 1.151834 0.649212
H -0.004016 -1.971064 -0.592813
H 0.369326 -1.905478 1.140687
H -2.228172 -0.543363 -1.277499
H -2.157981 -1.831667 -0.074902
H -4.066232 0.594706 0.139544
H 2.288302 -0.969752 -1.111820
H 2.663062 -0.950041 0.618245
H 1.960597 -3.480649 -1.012804
H 2.329120 -3.461580 0.717989
H 2.042939 2.421278 1.771179
H 0.994492 2.254445 -2.257368
H -3.631710 -0.565276 2.324504
H -4.053428 -2.125988 1.614376
H -5.281949 -0.872050 1.780951
H -4.629340 -2.240176 -0.963426
H -5.833621 -0.978438 -0.701712
H -4.569719 -0.752098 -1.912882
H 4.640283 -2.543394 0.214704
H 4.272336 -2.561470 -1.513623
H 4.358588 -4.077512 -0.612679


%chk=000245621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245621

0 1
O 1.148373 0.227923 2.445850
O 0.006407 0.086689 -2.257302
O 1.481391 4.000744 -0.245351
N 1.258096 2.089395 1.084059
N 0.649450 2.032049 -1.195846
C 0.165003 0.001105 0.201232
C -1.364984 0.068407 0.639100
C 0.657433 -1.472616 0.126484
C -2.343804 -0.751710 -0.228949
C -3.833321 -0.442329 0.091353
C 2.160835 -1.626158 -0.193087
C 0.911390 0.744863 1.324018
C 0.281305 0.669650 -1.176315
C 2.590024 -3.110005 -0.260713
C -4.207567 -0.795758 1.551405
C -4.753171 -1.192249 -0.900941
C 1.145816 2.796522 -0.125887
C 4.088608 -3.283472 -0.587126
H -1.392887 -0.285961 1.686424
H -1.685706 1.131217 0.646244
H 0.067923 -1.986602 -0.652787
H 0.434884 -1.950385 1.099052
H -2.158149 -0.550354 -1.300948
H -2.169194 -1.834894 -0.074026
H -3.991550 0.648896 -0.051323
H 2.389471 -1.143812 -1.165488
H 2.767630 -1.113525 0.580290
H 1.980101 -3.630297 -1.026953
H 2.361877 -3.599093 0.708053
H 1.670129 2.609938 1.865554
H 0.629249 2.504202 -2.105954
H -3.628220 -0.208086 2.286407
H -4.021802 -1.869188 1.751071
H -5.279267 -0.599311 1.739389
H -4.627881 -2.287630 -0.798835
H -5.817141 -0.956478 -0.713432
H -4.522466 -0.921956 -1.948130
H 4.720476 -2.797958 0.180328
H 4.336442 -2.827561 -1.564230
H 4.371402 -4.351112 -0.630987


