%chk=000248880.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248880

0 1
S 5.422874 0.113267 0.149311
O 5.927187 0.991361 -0.889810
O 5.819041 0.290926 1.532615
O -1.104462 -0.784688 1.838841
O -3.699750 2.692666 -0.525735
O -1.901642 1.766384 -1.481744
N -0.484116 -0.258386 -0.321880
N 5.968566 -1.463361 -0.281966
C 3.712784 0.015183 0.039749
C 0.927156 -0.157337 -0.144939
C -2.851851 -0.671583 0.225997
C 2.957376 -0.396180 1.144333
C 3.067125 0.357170 -1.156434
C 1.569704 -0.486838 1.062739
C 1.683075 0.275534 -1.260672
C -1.418605 -0.560180 0.687447
C -3.571393 0.341960 -0.426526
C -3.501873 -1.867569 0.563421
C -4.933436 0.164286 -0.714295
C -4.852372 -2.052392 0.251272
C -5.570154 -1.034615 -0.382384
C -2.934285 1.611243 -0.863611
H 3.456742 -0.641672 2.089876
H 3.655256 0.702902 -2.015758
H 0.987531 -0.803212 1.935712
H 1.190865 0.555410 -2.190758
H -0.840811 0.040715 -1.248848
H -2.949191 -2.652272 1.089307
H -5.494418 0.971215 -1.193333
H -5.346248 -2.989821 0.513988
H -6.627885 -1.170636 -0.613059
H 6.485701 -1.567985 -1.151577
H 6.414036 -2.027544 0.437821
H -3.287928 3.557648 -0.817698


%chk=000248880-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248880

0 1
S 5.591891 0.048740 0.333617
O 6.087593 1.454009 -0.325529
O 6.002576 -0.424506 1.838424
O -1.106653 -1.525944 1.616255
O -3.887283 2.376973 -1.739923
O -1.770707 1.509639 -1.738532
N -0.459575 -0.158593 -0.159919
N 6.171168 -1.244250 -0.851098
C 3.725486 -0.043967 0.198705
C 0.944776 -0.158286 0.019497
C -2.891831 -0.688179 0.213313
C 3.022961 -0.808434 1.141992
C 3.096800 0.680915 -0.828165
C 1.616927 -0.868562 1.055163
C 1.695922 0.620154 -0.911402
C -1.408517 -0.804428 0.610345
C -3.596632 0.277366 -0.599161
C -3.671497 -1.698768 0.840688
C -5.016382 0.183944 -0.719189
C -5.067009 -1.792450 0.688250
C -5.750285 -0.838988 -0.096765
C -2.977100 1.391011 -1.372051
H 3.560260 -1.326290 1.943011
H 3.685171 1.288121 -1.522541
H 1.032587 -1.447141 1.771176
H 1.173604 1.178222 -1.696493
H -0.818085 0.439984 -0.934294
H -3.132015 -2.402771 1.480625
H -5.531931 0.935172 -1.321462
H -5.614714 -2.599107 1.186578
H -6.836797 -0.886801 -0.220178
H 6.911221 -0.813100 -1.431008
H 6.506359 -2.058839 -0.309694
H -3.413690 3.066753 -2.278833


