%chk=000281346.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281346

0 1
S 5.201914 -0.056799 -0.032526
O -4.334755 2.088918 -0.323069
O -2.944537 1.810332 1.407517
O -4.439088 -1.096167 0.962064
O 5.520023 -1.101723 1.254527
O 5.724577 -0.697383 -1.206679
O 5.721464 1.209351 0.416207
N -1.480449 0.239343 -0.684685
N -0.721578 -0.274468 0.154000
C -2.940161 0.132295 -0.443898
C -3.663480 0.299048 -1.798953
C -4.685052 1.423180 -1.575544
C -3.363740 1.399144 0.367173
C -3.470744 -1.158631 0.250202
C -2.763189 -2.429325 -0.078807
C 0.708382 -0.149729 -0.006239
C 3.486735 -0.088039 -0.025377
C 1.379876 0.833661 0.741499
C 1.411721 -1.095166 -0.772234
C 2.773999 0.854530 0.727623
C 2.806515 -1.057550 -0.772261
H -4.149723 -0.633661 -2.135252
H -2.943307 0.569298 -2.600827
H -4.647026 2.222572 -2.333915
H -5.718945 1.062128 -1.436905
H -2.386316 -2.478032 -1.106521
H -1.897138 -2.573899 0.594377
H -3.420239 -3.299826 0.084844
H 0.817455 1.563740 1.327913
H 0.880279 -1.844860 -1.355704
H 3.309868 1.620313 1.304014
H 3.368030 -1.787233 -1.370224
H 6.361527 -0.973761 1.714865


%chk=000281346-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281346

0 1
S 5.304821 -0.000586 0.120061
O -4.300269 2.013826 -1.182958
O -2.679893 2.369567 0.439595
O -4.661304 -0.497219 0.849482
O 5.467148 -1.837404 0.350679
O 5.858292 0.387892 -1.349160
O 5.870062 0.740288 1.441633
N -1.411598 0.010990 -0.873609
N -0.768816 0.049578 0.257133
C -2.877319 0.110453 -0.684112
C -3.610213 -0.134221 -2.032687
C -4.795072 0.852702 -1.985593
C -3.242226 1.621439 -0.363863
C -3.521892 -0.800043 0.414970
C -2.801751 -2.066374 0.829046
C 0.667400 0.030486 0.127894
C 3.429921 0.002915 0.126542
C 1.370958 0.183230 1.349293
C 1.363861 -0.126612 -1.102943
C 2.781196 0.171540 1.359176
C 2.769897 -0.146484 -1.107492
H -3.946062 -1.175903 -2.167706
H -2.905831 0.118184 -2.844100
H -5.083080 1.254384 -2.968014
H -5.671391 0.442131 -1.458651
H -2.309768 -2.558922 -0.028753
H -2.005159 -1.808312 1.550189
H -3.518989 -2.749275 1.310015
H 0.796743 0.316864 2.270724
H 0.791525 -0.231829 -2.028799
H 3.354221 0.301995 2.281844
H 3.343261 -0.257821 -2.033067
H 6.444225 -2.055855 0.380435


