%chk=000239055.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239055

0 1
O -0.811122 -0.369052 -1.628638
O -3.435219 0.601463 -1.101640
O -4.561151 2.288585 0.561438
N -1.758011 0.014217 0.433817
N -3.646139 1.353100 1.089105
C 0.232918 -1.519237 0.263389
C 1.044539 -0.705422 1.302027
C 1.148498 -2.088260 -0.849120
C -0.530026 -2.654509 0.991516
C -0.791242 -0.596808 -0.448130
C 1.821620 0.442680 0.713004
C 2.225545 -3.042935 -0.349176
C -1.538845 -3.377343 0.105885
C 3.160714 0.262560 0.332390
C 1.226380 1.704151 0.563031
C 3.892079 1.329761 -0.194399
C 1.961257 2.768509 0.032901
C -2.939822 0.678298 -0.005335
C 3.294691 2.585241 -0.345313
H 1.742605 -1.401636 1.817638
H 0.381377 -0.334477 2.108584
H 1.619329 -1.242612 -1.397011
H 0.516863 -2.600149 -1.606610
H -1.042237 -2.262251 1.890791
H 0.213115 -3.387461 1.372585
H 2.961911 -2.532522 0.284808
H 2.774277 -3.479882 -1.193417
H 1.802607 -3.874387 0.227422
H -1.998730 -4.218903 0.637641
H -2.354812 -2.720948 -0.223090
H -1.069379 -3.783996 -0.799813
H -1.635171 -0.123919 1.441449
H 3.628923 -0.716342 0.438112
H 0.189439 1.861101 0.848806
H 4.929604 1.182299 -0.490537
H 1.490424 3.743176 -0.089424
H 3.864068 3.415086 -0.758945
H -3.073648 1.931280 1.717148
H -5.262833 1.726247 0.080607


%chk=000239055-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239055

0 1
O -1.193967 -0.444741 -1.636317
O -3.973382 0.153336 -0.585474
O -4.740943 2.220103 0.932221
N -1.863330 -0.023526 0.557905
N -3.448657 1.603297 1.124351
C 0.138668 -1.484660 0.191434
C 0.999768 -0.674766 1.233343
C 1.017583 -1.980073 -0.996540
C -0.530744 -2.678927 0.961809
C -1.003049 -0.613032 -0.408882
C 1.864117 0.460314 0.691412
C 2.147314 -2.962367 -0.621930
C -1.504032 -3.537818 0.127134
C 3.272529 0.414405 0.857883
C 1.304099 1.593843 0.042838
C 4.100216 1.460448 0.390466
C 2.126903 2.639596 -0.429708
C -3.132421 0.554071 0.271351
C 3.529210 2.578592 -0.257849
H 1.654180 -1.407763 1.741824
H 0.335766 -0.283389 2.034178
H 1.450391 -1.094354 -1.496454
H 0.355952 -2.444333 -1.748886
H -1.066250 -2.287035 1.851955
H 0.281801 -3.317849 1.357960
H 2.871495 -2.518094 0.085150
H 2.711032 -3.242243 -1.530314
H 1.761285 -3.897455 -0.175827
H -1.946819 -4.332322 0.754759
H -2.332535 -2.934825 -0.286328
H -0.991675 -4.027403 -0.719634
H -1.603040 -0.099945 1.544244
H 3.725718 -0.448060 1.363031
H 0.220976 1.663631 -0.105514
H 5.185343 1.402017 0.531667
H 1.674082 3.500839 -0.933777
H 4.166597 3.390801 -0.624472
H -2.783470 2.261338 1.533591
H -5.106317 1.693052 0.150898


