%chk=000282657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282657

0 1
S 0.648068 1.699827 0.912278
O -4.050056 0.102205 -0.089146
O 0.647763 -1.147699 1.804437
O -3.236636 4.037541 -0.608233
O 5.847972 -0.167583 -1.085590
N -2.060997 2.104779 -0.490410
C -1.760984 0.836708 0.067810
C -2.425690 -1.621186 -0.009725
C -1.159433 -1.963987 0.498948
C -0.566188 0.486542 0.591293
C -2.881685 -0.197678 -0.011846
C -0.259169 -0.895762 1.043923
C -3.274904 -2.617231 -0.498585
C -0.748812 -3.297732 0.514195
C -2.854403 -3.955200 -0.493982
C -1.182911 2.589999 -1.591331
C -1.598188 -4.293787 0.009579
C -3.047021 3.009094 0.010756
C 2.162438 1.033215 0.335231
C 2.960450 0.270777 1.191234
C 2.595189 1.371258 -0.956494
C -3.755332 2.635938 1.271317
C 4.219503 -0.164275 0.766868
C 3.841895 0.948094 -1.397994
C 4.645861 0.181180 -0.523168
C 6.774428 -0.947042 -0.288519
H -4.264291 -2.346643 -0.878765
H 0.230939 -3.557159 0.925142
H -1.789467 3.208463 -2.283254
H -0.754041 1.749746 -2.154708
H -0.367197 3.224936 -1.202486
H -3.516424 -4.730106 -0.882669
H -1.273168 -5.335013 0.017069
H 2.596797 -0.002261 2.189270
H 1.960097 1.967201 -1.615069
H -3.084913 2.271771 2.059263
H -4.296205 3.508631 1.672538
H -4.514257 1.852513 1.083356
H 4.837882 -0.756842 1.432169
H 4.214086 1.191637 -2.390319
H 6.336269 -1.917209 -0.037700
H 7.071245 -0.387895 0.603500
H 7.619889 -1.063065 -0.979783


%chk=000282657-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282657

0 1
S 0.695270 1.774601 0.763448
O -3.961905 0.249579 -0.907723
O 0.803862 -1.281398 1.312226
O -3.394625 4.148361 -0.019392
O 6.053304 -0.455016 -0.983194
N -2.093946 2.250232 -0.381199
C -1.784443 0.882964 -0.103614
C -2.509777 -1.572182 -0.266443
C -1.246119 -1.966149 0.250723
C -0.530590 0.491780 0.350239
C -2.840202 -0.127754 -0.440260
C -0.233081 -0.945555 0.663103
C -3.467536 -2.554885 -0.613705
C -0.946636 -3.340684 0.409510
C -3.162315 -3.923221 -0.460063
C -1.539783 2.833946 -1.624810
C -1.900061 -4.316494 0.051540
C -3.063499 2.981480 0.339618
C 2.306634 1.006767 0.274610
C 3.280458 0.741238 1.256053
C 2.592684 0.794424 -1.095399
C -3.659688 2.311806 1.569035
C 4.553242 0.259034 0.879083
C 3.850629 0.295568 -1.478390
C 4.835303 0.029834 -0.492178
C 7.110124 -0.753303 -0.011783
H -4.435371 -2.223220 -1.002732
H 0.030475 -3.617432 0.817242
H -1.904727 3.871989 -1.680386
H -1.900003 2.272367 -2.505791
H -0.435904 2.831750 -1.597805
H -3.901221 -4.683017 -0.735390
H -1.665817 -5.379491 0.171061
H 3.042400 0.884553 2.313917
H 1.839680 1.018032 -1.858469
H -2.939864 1.661935 2.095492
H -4.015056 3.097905 2.252044
H -4.525570 1.698012 1.263345
H 5.297539 0.054248 1.653724
H 4.095421 0.116158 -2.529324
H 6.793335 -1.543339 0.696210
H 7.407955 0.153490 0.549404
H 7.957824 -1.112216 -0.613178


