%chk=000196298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196298

0 1
O -0.030026 1.489473 -0.035054
N 2.506843 0.846257 1.642906
N -2.534629 0.655378 -1.676608
N 4.085766 -0.613878 0.685874
N 1.702955 -1.157460 0.488101
N -4.051476 -0.820534 -0.646079
N -1.648104 -1.252082 -0.423373
C 0.632979 2.314330 0.952810
C -0.725779 2.234561 -1.062983
C 1.149684 1.300390 1.986001
C -1.197472 1.148724 -2.043302
C 2.716920 -0.219365 0.943113
C -2.700256 -0.381744 -0.924053
C 4.503812 -0.842948 -0.513605
C 1.585628 -1.487201 -0.754676
C -4.460903 -1.006215 0.563833
C -1.518393 -1.513373 0.834372
C 3.738978 -0.757491 -1.775535
C 2.432640 -1.043580 -1.882618
C -3.701878 -0.824675 1.819098
C -2.384737 -1.049481 1.939258
H 1.446759 2.879559 0.465269
H -0.095255 3.011537 1.400097
H -1.563506 2.788705 -0.604121
H -0.027080 2.938552 -1.545355
H 0.407995 0.472250 2.084456
H 1.237006 1.791533 2.984588
H -0.421130 0.348938 -2.100324
H -1.304123 1.584589 -3.065370
H 5.563666 -1.142658 -0.624303
H 0.757454 -2.173034 -1.028338
H -5.507161 -1.344825 0.690540
H -0.662375 -2.148952 1.141532
H 4.324056 -0.461433 -2.651761
H 1.920313 -0.986004 -2.848504
H -4.299977 -0.509571 2.679749
H -1.876396 -0.921473 2.900464


%chk=000196298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196298

0 1
O -0.019106 1.324416 -0.044358
N 2.542077 0.879388 1.644106
N -2.583368 0.694361 -1.671202
N 4.169492 -0.501290 0.671880
N 1.834235 -1.195850 0.599394
N -4.149692 -0.692554 -0.613055
N -1.791366 -1.305701 -0.542465
C 0.475456 2.165476 1.050570
C -0.565231 2.088657 -1.170728
C 1.175432 1.244843 2.063546
C -1.236610 1.088900 -2.126458
C 2.792866 -0.197159 0.965281
C -2.787721 -0.356955 -0.939404
C 4.556726 -0.632428 -0.580557
C 1.632682 -1.483295 -0.672417
C -4.516925 -0.780349 0.649129
C -1.565741 -1.531216 0.737794
C 3.731205 -0.641978 -1.791744
C 2.404002 -1.030019 -1.829971
C -3.676909 -0.709963 1.848292
C -2.337317 -1.052961 1.885161
H 1.192244 2.926599 0.672671
H -0.376849 2.689420 1.537161
H -1.311591 2.833689 -0.819009
H 0.255761 2.626759 -1.694172
H 0.521311 0.363354 2.227755
H 1.271350 1.800425 3.015120
H -0.549350 0.226463 -2.251412
H -1.363987 1.588978 -3.104763
H 5.636573 -0.786915 -0.729045
H 0.787037 -2.149627 -0.895070
H -5.589257 -0.962681 0.818978
H -0.697006 -2.160774 0.977737
H 4.253733 -0.463661 -2.740292
H 1.917835 -1.143428 -2.807479
H -4.193472 -0.507568 2.795260
H -1.835721 -1.108556 2.859865


