%chk=000252420.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252420

0 1
O -2.072066 0.457036 -2.222623
O -5.006512 0.754344 1.332463
N -2.785915 0.483020 1.869027
N 0.180732 0.159489 -0.112672
N -3.535851 0.603944 -0.450179
N -0.308601 0.182507 2.128857
N 2.801438 -0.274223 -1.484035
C -1.209238 0.319859 0.004855
C -1.482142 0.333315 1.402498
C 0.687255 0.077786 1.175857
C 2.130812 -0.074068 1.511685
C 2.810666 -1.234750 0.770426
C -2.218226 0.455481 -1.017292
C -3.862289 0.623704 0.938433
C -3.062377 0.495959 3.325615
C 3.549385 -0.787899 -0.465203
C -4.690412 0.755152 -1.378744
C 4.949013 -0.913546 -0.562368
C 5.583637 -0.504637 -1.737794
C 3.432740 0.119589 -2.620539
C 4.822575 0.018939 -2.787125
H 2.658936 0.885927 1.310910
H 2.221910 -0.230284 2.613976
H 0.689826 0.094388 -0.993872
H 2.059809 -2.009487 0.491419
H 3.505763 -1.752659 1.464612
H -2.740666 -0.456402 3.783284
H -4.145616 0.634425 3.506275
H -2.508748 1.319217 3.811269
H -4.337195 0.721514 -2.426782
H -5.201044 1.717706 -1.203701
H -5.420030 -0.057581 -1.220348
H 5.527143 -1.321740 0.263162
H 6.666468 -0.593874 -1.835356
H 2.788437 0.523763 -3.411850
H 5.292984 0.341787 -3.712843


%chk=000252420-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252420

0 1
O -1.729891 0.406215 -2.263418
O -4.986856 0.826277 1.128935
N -2.764530 0.497354 1.810209
N 0.306838 0.069893 0.072473
N -3.346057 0.610917 -0.532865
N -0.348833 0.141997 2.258775
N 2.583930 -0.244058 -1.307626
C -1.072252 0.268624 0.065347
C -1.444077 0.311682 1.422360
C 0.703455 -0.000339 1.390356
C 2.138615 -0.183694 1.803469
C 2.950271 -1.215177 0.957312
C -1.999975 0.420807 -1.021874
C -3.769299 0.654089 0.826969
C -3.127193 0.532080 3.238805
C 3.479434 -0.740473 -0.392127
C -4.422282 0.783659 -1.534204
C 4.854898 -0.846669 -0.720223
C 5.303510 -0.446444 -1.998643
C 3.016254 0.143041 -2.540107
C 4.369184 0.055936 -2.932007
H 2.664097 0.792355 1.795796
H 2.121834 -0.520998 2.854373
H 1.021488 -0.027856 -0.714985
H 2.317261 -2.110472 0.796559
H 3.815465 -1.545258 1.559668
H -2.844882 -0.417504 3.724046
H -4.214477 0.684120 3.302571
H -2.595299 1.355515 3.744664
H -3.953933 0.723485 -2.527705
H -4.916302 1.759613 -1.396922
H -5.182251 -0.005941 -1.414856
H 5.558908 -1.240887 0.019348
H 6.363614 -0.525483 -2.261382
H 2.247675 0.527603 -3.218778
H 4.674258 0.373693 -3.933017


