%chk=000245536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245536

0 1
O 2.914298 0.018135 -2.536539
N -3.010890 -0.373988 -0.143660
C -3.538804 -0.124834 1.221849
C -4.010485 -0.717266 -1.187349
C -1.656525 -0.278979 -0.432776
C -3.700739 1.376509 1.524889
C -4.089138 -2.233207 -1.447073
C -0.711273 0.025431 0.590133
C -1.177647 -0.484142 -1.759490
C -4.931710 1.988554 0.865536
C -4.856001 -2.984622 -0.364479
C 1.111460 -0.100705 -1.016189
C 0.639224 0.108844 0.291692
C 0.175924 -0.387653 -2.032212
C 2.537453 -0.007913 -1.379325
C 3.540419 0.054433 -0.258723
C 3.668184 -1.016689 0.634674
C 4.371797 1.174821 -0.141547
C 4.624463 -0.960597 1.652433
C 5.321092 1.230214 0.883672
C 5.447604 0.163746 1.779576
H -2.854207 -0.587399 1.971120
H -4.514566 -0.648241 1.334851
H -3.751944 -0.187107 -2.134230
H -5.006238 -0.326615 -0.880031
H -3.757194 1.514132 2.623123
H -2.792744 1.926076 1.199095
H -4.569890 -2.401264 -2.431499
H -3.065292 -2.652992 -1.537325
H -1.041178 0.192945 1.610492
H -1.868484 -0.708958 -2.566213
H -5.853989 1.478557 1.164071
H -5.039804 3.045394 1.139312
H -4.863397 1.945375 -0.228260
H -5.877126 -2.606027 -0.246891
H -4.929553 -4.052585 -0.604443
H -4.355231 -2.907013 0.608079
H 1.347396 0.348700 1.089648
H 0.543605 -0.535363 -3.053987
H 3.027549 -1.892229 0.531005
H 4.282191 1.995093 -0.854362
H 4.730099 -1.793735 2.344670
H 5.966409 2.101681 0.978574
H 6.190584 0.206281 2.574208


%chk=000245536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245536

0 1
O 2.804231 0.567548 -2.453080
N -3.159387 -0.377608 -0.114006
C -3.710528 -0.168767 1.244785
C -4.098269 -0.764548 -1.193164
C -1.795504 -0.218163 -0.369715
C -3.910579 1.320141 1.634473
C -4.075352 -2.273851 -1.552364
C -0.868925 0.123124 0.672555
C -1.255042 -0.380819 -1.692481
C -4.946372 2.052889 0.756252
C -4.520728 -3.188936 -0.392439
C 1.033000 0.091301 -0.899329
C 0.502659 0.260082 0.410836
C 0.110921 -0.213239 -1.941045
C 2.464002 0.295168 -1.251826
C 3.539923 0.177620 -0.199736
C 3.463383 -0.744447 0.878625
C 4.716660 0.958321 -0.355894
C 4.536657 -0.870709 1.788718
C 5.779893 0.845113 0.562338
C 5.692724 -0.070169 1.639683
H -3.058682 -0.666598 1.989531
H -4.686190 -0.685369 1.291997
H -3.893226 -0.160055 -2.098270
H -5.116547 -0.491079 -0.862348
H -4.229608 1.351701 2.696173
H -2.941091 1.849675 1.577715
H -4.742605 -2.423191 -2.425433
H -3.057649 -2.560063 -1.877468
H -1.222310 0.294173 1.692359
H -1.909592 -0.637951 -2.529174
H -5.944415 1.579469 0.828928
H -5.051979 3.107557 1.068061
H -4.638874 2.048031 -0.305112
H -5.555439 -2.959712 -0.072626
H -4.490137 -4.251435 -0.693880
H -3.855620 -3.070249 0.482050
H 1.167536 0.546079 1.232771
H 0.504730 -0.316494 -2.958047
H 2.583173 -1.387620 0.982682
H 4.776851 1.638100 -1.212333
H 4.474159 -1.596671 2.607279
H 6.677554 1.461168 0.438382
H 6.522291 -0.164721 2.349680


