%chk=000262229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262229

0 1
S -1.748282 -0.304693 1.737038
O 5.149359 -1.482256 0.018877
O 4.335808 1.486838 2.299093
O 1.539574 1.000187 -0.572167
O 6.104834 2.000551 1.031795
O -6.583919 -0.259270 -0.371525
N 0.810917 -0.710864 0.784134
N -1.077045 -0.806054 -0.765680
C 3.700820 -1.657092 -0.063502
C 5.242505 -0.245563 -0.760864
C 3.222257 -0.310785 0.584427
C 4.284856 0.695161 0.048768
C 3.459273 -1.639216 -1.593078
C 4.542215 -0.642700 -2.082979
C 1.816687 0.092344 0.175224
C 5.036203 1.443779 1.113584
C -0.542809 -0.643920 0.413080
C -3.038160 -0.401215 0.558349
C -2.486479 -0.657467 -0.724751
C -4.404345 -0.257626 0.766568
C -3.333834 -0.762482 -1.848054
C -5.221644 -0.370486 -0.366721
C -4.697500 -0.619779 -1.666122
C -7.269287 0.013013 0.897634
C -8.726700 0.073019 0.489142
H 3.441520 -2.569874 0.477964
H 6.296543 0.049056 -0.802592
H 3.298830 -0.382531 1.697973
H 3.801054 1.458267 -0.622058
H 2.441747 -1.324392 -1.874788
H 3.610401 -2.642242 -2.024245
H 5.252570 -1.124901 -2.773852
H 4.107998 0.216541 -2.616709
H 1.050033 -1.414923 1.485355
H 4.814953 2.002822 3.004039
H -4.803230 -0.064374 1.755685
H -2.903461 -0.951002 -2.833261
H -5.394199 -0.691223 -2.501064
H -7.050800 -0.815035 1.593328
H -6.893935 0.971549 1.295163
H -9.375171 0.275322 1.349477
H -8.900185 0.859014 -0.260083
H -9.053473 -0.871402 0.030694


%chk=000262229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262229

0 1
S -1.805789 -0.327097 1.777978
O 5.264567 -1.557445 0.258452
O 3.779549 1.742905 2.082834
O 1.669459 0.460895 -1.295180
O 5.919133 2.008539 1.228952
O -6.751205 -0.199386 -0.323744
N 0.759882 -0.539827 0.634344
N -1.157710 -0.517169 -0.853716
C 3.841233 -1.775241 -0.130881
C 5.437647 -0.311974 -0.558391
C 3.199398 -0.435369 0.404039
C 4.302290 0.603223 0.004318
C 3.901515 -1.813182 -1.680771
C 5.055249 -0.788674 -1.983158
C 1.827696 -0.106180 -0.184255
C 4.784752 1.493918 1.133288
C -0.602808 -0.485545 0.328178
C -3.119984 -0.334440 0.528796
C -2.559693 -0.420257 -0.787149
C -4.507656 -0.263425 0.752835
C -3.430401 -0.426158 -1.904960
C -5.354022 -0.270377 -0.385442
C -4.815376 -0.350692 -1.702497
C -7.384468 -0.105099 1.007716
C -8.891233 -0.037621 0.776904
H 3.470666 -2.684139 0.362991
H 6.452553 0.077918 -0.412248
H 3.143503 -0.514043 1.503064
H 3.905575 1.268541 -0.788910
H 2.949707 -1.523382 -2.153145
H 4.168678 -2.828215 -2.017265
H 5.915717 -1.282906 -2.462822
H 4.720476 0.041104 -2.627984
H 1.007438 -0.864960 1.571544
H 4.130486 2.373354 2.769003
H -4.911152 -0.200658 1.765712
H -3.004740 -0.488139 -2.910163
H -5.513308 -0.351094 -2.544385
H -7.108252 -0.995663 1.609512
H -7.014367 0.803535 1.526105
H -9.419921 0.032719 1.744770
H -9.153374 0.845294 0.169695
H -9.245209 -0.939493 0.249332


