%chk=000004414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000004414

-1 1
S 4.007817 -0.788926 0.394064
O 1.010041 2.193145 1.405393
O -0.293233 -1.841106 -0.090295
O 3.652741 0.843142 -2.784612
O 4.402177 2.943314 -2.470170
O -2.545154 -1.998916 2.346407
N 2.377622 1.151153 -0.301669
N -1.142042 0.041078 0.917088
C 2.356981 -0.348721 -0.261161
C 4.772093 0.923142 0.167054
C 3.683210 1.768579 -0.533771
C 1.271260 -0.266618 0.845503
C 1.505243 1.281161 0.799432
C 5.079697 1.430308 1.568761
C 6.019670 0.724419 -0.664762
C -0.095037 -0.788433 0.489415
C 3.927440 1.852609 -2.134451
C -2.526636 -0.253602 0.678963
C -3.263469 0.562843 -0.256428
C -3.182370 -1.276856 1.349425
C -4.643761 0.300096 -0.458427
C -4.567038 -1.548112 1.123666
C -2.645718 1.619288 -0.998700
C -5.277919 -0.772875 0.248526
C -5.383900 1.109421 -1.377447
C -3.378314 2.376394 -1.878907
C -4.767045 2.122798 -2.067838
C -2.083973 -3.328570 1.917957
C -1.359337 -3.856830 3.139736
H 2.122707 -0.848535 -1.218708
H 3.687354 2.821513 -0.168274
H 1.586726 -0.705609 1.817169
H 5.584362 2.404681 1.521650
H 4.170461 1.564345 2.167763
H 5.737193 0.749617 2.120870
H 6.801223 0.169523 -0.141895
H 5.793142 0.183297 -1.604383
H 6.433216 1.694895 -0.983205
H -0.951027 0.934198 1.388456
H -5.024122 -2.363945 1.679542
H -1.576738 1.808009 -0.868735
H -6.335991 -0.958404 0.072352
H -6.442182 0.901432 -1.518407
H -2.905054 3.175650 -2.448780
H -5.321710 2.741345 -2.770137
H -2.967297 -3.925162 1.643668
H -1.415823 -3.195083 1.040944
H -0.900110 -4.830101 2.937191
H -0.560574 -3.164341 3.444231
H -2.034801 -3.956651 3.997440


%chk=000004414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004414

-1 1
S 4.194339 -0.712453 0.918070
O 0.735913 2.345715 0.543906
O -0.214748 -2.046645 0.205399
O 3.759181 -0.036287 -2.662145
O 4.935832 1.989043 -2.877049
O -2.346728 -2.102141 2.100624
N 2.544100 0.957041 -0.352335
N -1.137017 0.060072 0.742722
C 2.530460 -0.477454 0.022942
C 4.872490 1.027186 0.280207
C 3.810575 1.539636 -0.787235
C 1.254856 -0.183789 0.887469
C 1.422090 1.293137 0.386212
C 4.912986 1.977611 1.497746
C 6.270105 0.809329 -0.321707
C -0.083508 -0.844939 0.571933
C 4.192619 1.119312 -2.272977
C -2.518507 -0.224940 0.578605
C -3.335769 0.677501 -0.202523
C -3.110640 -1.344951 1.197201
C -4.751268 0.403082 -0.352505
C -4.500582 -1.627430 1.003292
C -2.788685 1.835089 -0.854028
C -5.303936 -0.773155 0.251954
C -5.563684 1.306406 -1.112983
C -3.608206 2.694064 -1.592079
C -5.009027 2.435941 -1.718988
C -2.271488 -3.565222 1.837701
C -1.264206 -4.135753 2.831972
H 2.456365 -1.163961 -0.827948
H 3.759258 2.641041 -0.735897
H 1.471625 -0.263746 1.967941
H 5.373632 2.941769 1.202850
H 3.896919 2.178844 1.882594
H 5.510415 1.544453 2.320541
H 6.987666 0.496413 0.460279
H 6.234327 0.042108 -1.111279
H 6.619407 1.747838 -0.790179
H -0.852818 1.047235 0.865989
H -4.930859 -2.505798 1.496486
H -1.715977 2.046793 -0.789187
H -6.372754 -0.984051 0.127175
H -6.634586 1.089718 -1.214273
H -3.169195 3.568181 -2.085385
H -5.638377 3.119811 -2.299845
H -3.274904 -4.021361 1.974151
H -1.928761 -3.705287 0.797076
H -1.178329 -5.230684 2.701098
H -0.274677 -3.683026 2.656383
H -1.573923 -3.927297 3.871533


