%chk=000274227.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274227

0 1
S 3.966000 1.863752 1.329188
P -0.556797 -0.184531 -1.437120
O -0.768193 0.974892 -0.276047
O -2.031444 -0.934094 -1.506234
O -0.101054 0.352320 -2.715048
O -3.666667 2.002176 0.797738
O -4.738753 0.458456 -0.276148
N -3.802500 0.872200 0.375913
N 0.396474 -1.435981 -0.653997
C -2.714698 -0.163300 0.780629
C -1.356372 0.549825 0.960850
C -2.652420 -1.297784 -0.267021
C -3.174635 -0.733413 2.123657
C 1.704416 -1.172228 -0.147901
C 2.100458 0.124489 0.238979
C 2.580371 -2.264114 0.030802
C 3.366591 0.299234 0.792466
C 3.836814 -2.053424 0.601518
C 4.243677 -0.774200 0.987355
C 2.893710 3.095639 0.566134
H -1.479285 1.522151 1.497672
H -0.638740 -0.086524 1.519968
H -2.145864 -2.190801 0.150382
H -3.678040 -1.583893 -0.610309
H -3.273259 0.048477 2.893078
H -4.152428 -1.233601 2.049824
H -2.464493 -1.475005 2.515776
H 0.270769 -2.410234 -0.991543
H 1.438610 0.982616 0.113614
H 2.288341 -3.264724 -0.273556
H 4.511523 -2.899353 0.741126
H 5.231025 -0.622168 1.420823
H 3.330860 4.083436 0.771678
H 1.877714 3.080986 0.976765
H 2.832690 2.976425 -0.523810


%chk=000274227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274227

0 1
S 4.333514 1.961633 1.059981
P -0.536098 -0.022220 -1.382476
O -0.839220 1.049198 -0.040069
O -2.024601 -0.919573 -1.511651
O -0.123488 0.773696 -2.676402
O -3.785375 1.985585 0.918251
O -4.772945 0.466129 -0.459776
N -3.863958 0.830419 0.367283
N 0.489640 -1.276317 -0.730757
C -2.817093 -0.254268 0.827997
C -1.478726 0.446280 1.149654
C -2.690215 -1.346597 -0.256660
C -3.413453 -0.870452 2.117444
C 1.789897 -1.102177 -0.164045
C 2.302419 0.193925 0.098975
C 2.555397 -2.252115 0.152479
C 3.580833 0.336764 0.681273
C 3.830452 -2.090936 0.738126
C 4.351871 -0.809881 1.007446
C 3.073018 3.170106 0.370578
H -1.640637 1.294855 1.830004
H -0.797583 -0.295781 1.610223
H -2.133247 -2.193937 0.190429
H -3.685740 -1.678119 -0.587246
H -3.576859 -0.089333 2.879093
H -4.378858 -1.361803 1.906492
H -2.721281 -1.623502 2.532761
H 0.254222 -2.225173 -1.035114
H 1.704652 1.074045 -0.154204
H 2.165296 -3.254986 -0.057731
H 4.427315 -2.976623 0.981799
H 5.344800 -0.699018 1.455025
H 3.502904 4.168061 0.546780
H 2.112254 3.085476 0.901776
H 2.935291 3.014341 -0.710536


