%chk=000235011.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235011

0 1
O 0.600565 3.300490 0.174272
O 3.682215 -0.353369 -1.020702
O 2.680747 2.565815 -0.293135
O 3.784933 0.056075 1.216818
N -1.518937 1.800389 -0.107337
N -1.459608 -3.973254 0.095154
N 2.529645 -3.596413 0.253940
C -1.159384 -0.487380 -0.011493
C -0.527508 0.824114 -0.032558
C -2.593277 -0.260278 -0.076236
C -2.788716 1.160925 -0.131830
C 0.872371 0.969967 0.006618
C -0.365834 -1.624554 0.062002
C 1.639200 -0.204407 0.095107
C 1.045859 -1.480562 0.118455
C -3.707316 -1.104459 -0.091227
C -4.061484 1.736073 -0.200104
C -4.976567 -0.531578 -0.159827
C 1.528605 2.295102 -0.063276
C -5.149885 0.865196 -0.213162
C 3.142970 -0.122148 0.214581
C -0.965141 -2.929122 0.081080
C 1.867015 -2.651415 0.195529
C 1.102676 4.665204 0.131808
C 5.135636 -0.284864 -1.113093
H -1.350194 2.801626 -0.105812
H -3.586742 -2.187533 -0.050002
H -4.197269 2.812871 -0.241063
H -5.856539 -1.175589 -0.172364
H -6.161280 1.272379 -0.265747
H 2.069695 4.731786 0.646434
H 0.325036 5.227988 0.657574
H 1.200980 4.965060 -0.915907
H 5.589496 -0.949649 -0.370760
H 5.450436 0.752998 -0.961473
H 5.317800 -0.626177 -2.138063


%chk=000235011-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235011

0 1
O 0.587003 3.348089 -0.007879
O 3.734417 -0.226682 -1.056632
O 2.745545 2.478381 -0.053661
O 3.755159 -0.123860 1.276609
N -1.565457 1.761872 -0.049792
N -1.518061 -4.040094 0.010590
N 2.549791 -3.664860 0.116799
C -1.205322 -0.501180 -0.007732
C -0.573238 0.797826 -0.010218
C -2.643936 -0.278238 -0.047705
C -2.831255 1.146538 -0.072270
C 0.838841 0.955777 0.017858
C -0.397251 -1.659077 0.024895
C 1.632209 -0.223417 0.062378
C 1.029765 -1.515151 0.063579
C -3.775293 -1.130844 -0.063966
C -4.109457 1.735909 -0.112182
C -5.057832 -0.547520 -0.103979
C 1.510486 2.281037 -0.016784
C -5.221751 0.866157 -0.127747
C 3.141399 -0.154591 0.189703
C -0.996295 -2.964412 0.018326
C 1.859384 -2.689135 0.095618
C 1.195661 4.703435 -0.033458
C 5.219330 -0.166570 -1.059859
H -1.342537 2.758863 -0.051435
H -3.661634 -2.218616 -0.045844
H -4.242464 2.822253 -0.130575
H -5.943539 -1.190549 -0.117019
H -6.231913 1.288622 -0.158790
H 1.851660 4.836904 0.841824
H 0.344429 5.397879 -0.002578
H 1.784402 4.833973 -0.955927
H 5.631234 -1.002637 -0.471112
H 5.548295 0.792875 -0.627832
H 5.498427 -0.247653 -2.119003


