%chk=000217883.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217883

0 1
O 5.813336 -1.520233 -1.368243
O 6.961629 0.320377 0.488561
O -3.019598 1.039579 1.201227
O -2.258710 -1.614699 -1.593789
O -1.584821 2.638646 1.816041
N 0.628106 0.924284 0.871279
N -2.985587 -1.613060 0.578254
N -7.167652 0.294664 0.509694
C 1.263035 2.094157 1.514766
C 1.358721 -0.084545 0.252767
C 2.629940 1.699696 2.093886
C 2.815170 -0.031803 0.264813
C 3.451187 0.859608 1.152036
C -0.744905 0.649616 0.749060
C 0.443356 -1.013724 -0.286943
C -0.855663 -0.558566 0.018051
C 3.575440 -0.842036 -0.597240
C 4.848267 0.931315 1.181270
C 4.965290 -0.770855 -0.570617
C 5.614404 0.124848 0.329254
C -2.083393 -1.262462 -0.437162
C -1.743981 1.552051 1.295391
C -4.302292 -2.185803 0.203141
C -5.295244 -1.105801 -0.141730
C 5.203199 -2.421476 -2.324960
C 7.872834 -0.448656 -0.339224
C -5.244880 -0.471550 -1.392939
C -6.273127 -0.691179 0.780850
C -6.163656 0.537176 -1.684565
C -7.109883 0.893094 -0.707784
H 0.591829 2.508058 2.308778
H 1.375640 2.900701 0.748690
H 2.494663 1.130445 3.042104
H 3.175149 2.624293 2.379436
H 0.685610 -1.903964 -0.836543
H 3.061509 -1.515871 -1.280941
H 5.366520 1.608855 1.860246
H -2.976690 -1.082214 1.452366
H -4.657799 -2.817227 1.048276
H -4.161409 -2.872847 -0.670543
H -3.708102 1.682392 1.535558
H 6.086047 -2.856245 -2.811230
H 4.595696 -1.863007 -3.043267
H 4.622748 -3.190752 -1.807389
H 7.705334 -0.216866 -1.396366
H 7.743875 -1.518837 -0.144908
H 8.847549 -0.086765 0.007433
H -4.479995 -0.766067 -2.121138
H -6.357830 -1.152446 1.771002
H -6.147900 1.041395 -2.648047
H -7.849868 1.680203 -0.891465


%chk=000217883-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217883

0 1
O 5.420601 -1.234439 -2.012677
O 7.009219 0.382437 -0.243226
O -2.814869 1.293735 2.358572
O -1.921072 -2.209259 -0.469115
O -1.054496 2.575140 3.103125
N 0.793116 0.977352 1.488762
N -3.284526 -0.951712 0.927237
N -7.615019 -0.207429 -0.982032
C 1.587618 2.109615 2.041198
C 1.390412 0.045307 0.645010
C 3.006713 1.620088 2.389288
C 2.827368 0.095457 0.381093
C 3.654927 0.892470 1.221627
C -0.602127 0.735005 1.561162
C 0.381825 -0.819891 0.178134
C -0.862670 -0.416574 0.730641
C 3.405156 -0.633420 -0.690463
C 5.040550 0.927200 0.979590
C 4.792232 -0.583625 -0.936725
C 5.632404 0.197699 -0.076048
C -2.067001 -1.242829 0.359071
C -1.426692 1.602831 2.386449
C -4.479631 -1.753445 0.619227
C -5.396138 -1.103829 -0.411589
C 4.570627 -1.999988 -2.930289
C 7.866352 -0.771909 -0.588364
C -4.933642 -0.807199 -1.719900
C -6.741066 -0.784356 -0.102781
C -5.819826 -0.214079 -2.643186
C -7.145334 0.068858 -2.233780
H 1.065364 2.511169 2.919208
H 1.631044 2.907471 1.273355
H 2.947032 0.942059 3.265336
H 3.613998 2.489835 2.696837
H 0.487438 -1.682778 -0.474676
H 2.751516 -1.214247 -1.346952
H 5.709146 1.521253 1.611400
H -3.361196 -0.117346 1.527910
H -5.039325 -1.934296 1.556152
H -4.117255 -2.725278 0.236828
H -3.279320 1.952284 2.939644
H 5.258116 -2.401666 -3.688901
H 3.818883 -1.348334 -3.415283
H 4.062123 -2.833241 -2.408130
H 7.658121 -1.130428 -1.607721
H 7.716656 -1.594705 0.136130
H 8.893272 -0.383999 -0.508591
H -3.901294 -1.048620 -1.996386
H -7.146073 -0.998005 0.895483
H -5.498138 0.024224 -3.662147
H -7.862021 0.531338 -2.922310


