%chk=000253942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253942

0 1
O -4.261716 -0.602760 1.440365
O -2.832611 0.578446 0.045334
O 1.870660 -2.102690 2.292712
O 5.335243 -0.265896 0.149425
N -0.816276 -1.386152 1.618585
N 2.750826 -0.655705 0.776891
N 1.338865 0.842498 -0.489928
N 3.660639 0.947007 -0.842409
C -2.993774 -0.639912 0.780307
C -1.987511 -0.533626 1.947490
C 0.315884 -0.711699 1.073905
C -5.440162 -0.855686 0.649828
C -3.266047 0.562559 -1.341850
C 1.635364 -1.245972 1.463455
C 0.226623 0.292567 0.138779
C 2.546349 0.362130 -0.169383
C -5.514355 -2.303335 0.193962
C -2.674585 1.826902 -1.935610
C 5.023028 0.597737 -0.645942
C 5.979372 1.378091 -1.489976
H -2.890644 -1.529296 0.134387
H -2.482466 -0.889369 2.880558
H -1.736879 0.539729 2.115302
H -0.556528 -2.002904 2.401381
H -6.236962 -0.604610 1.377655
H -5.468996 -0.140980 -0.195315
H -2.893156 -0.352598 -1.832968
H -4.374380 0.569715 -1.340427
H -0.740398 0.733032 -0.170923
H 3.709693 -0.992708 1.004758
H -6.522865 -2.563359 -0.147503
H -4.822607 -2.522601 -0.626051
H -5.262016 -2.984513 1.019163
H -3.066108 2.023034 -2.939024
H -2.903399 2.697569 -1.303327
H -1.578830 1.770112 -2.002144
H 3.406354 1.683654 -1.516780
H 7.015480 1.049658 -1.287051
H 5.944897 2.458361 -1.283522
H 5.809096 1.237170 -2.567808


%chk=000253942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253942

0 1
O -4.300194 -0.410773 1.718470
O -2.816968 0.232400 -0.034150
O 1.641746 -2.655372 1.103768
O 5.179219 -0.439394 -0.546616
N -0.730814 -1.369765 1.540858
N 2.624561 -0.683458 0.283034
N 1.404835 1.371606 0.112994
N 3.657236 1.328923 -0.542746
C -3.111649 -0.781792 0.983600
C -1.989794 -0.826413 2.041889
C 0.304947 -0.634649 0.992793
C -5.521649 -0.244528 0.899725
C -2.559301 -0.298064 -1.391525
C 1.546751 -1.418199 0.811021
C 0.286751 0.717040 0.620108
C 2.518147 0.662881 -0.031519
C -6.094311 -1.578125 0.391767
C -2.397733 0.900499 -2.324623
C 4.918498 0.786354 -0.779801
C 5.946768 1.762113 -1.329858
H -3.228236 -1.772191 0.484595
H -2.342914 -1.448084 2.883753
H -1.847868 0.202549 2.422102
H -0.476606 -2.342416 1.744924
H -6.230740 0.245896 1.587156
H -5.301120 0.447529 0.064556
H -1.638615 -0.916038 -1.381252
H -3.409671 -0.940563 -1.708873
H -0.626768 1.310734 0.686838
H 3.545139 -1.138162 0.123785
H -7.052787 -1.398339 -0.130239
H -5.415423 -2.077019 -0.323911
H -6.282333 -2.268660 1.232311
H -2.210606 0.557067 -3.358610
H -3.307738 1.525556 -2.320764
H -1.545623 1.524755 -2.005422
H 3.477231 2.317167 -0.740414
H 6.887455 1.220480 -1.502347
H 6.135629 2.585572 -0.616880
H 5.609651 2.206483 -2.284199


