%chk=000183368.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183368

0 1
S 5.465341 1.987701 2.252565
O 6.525877 2.965840 2.188096
O 4.387244 2.127343 3.193890
N 0.619081 -1.192947 -1.336492
N -3.333769 -1.631869 0.173574
N 2.011061 0.826758 -3.090925
N 4.840424 2.011239 0.636916
N -4.833531 0.525122 1.102495
C -0.673743 -1.289166 -0.776991
C -1.453943 -0.169660 -0.408574
C -1.253155 -2.605596 -0.693642
C -2.786630 -0.405676 0.099115
C 1.607910 -0.255759 -0.848315
C -2.595829 -2.717959 -0.227312
C 2.345219 0.578529 -1.747453
C -3.594701 0.750036 0.553460
C -1.003346 1.199984 -0.546856
C -3.070006 2.061344 0.417149
C -1.759991 2.254573 -0.162723
C -0.563050 -3.813047 -1.045630
C 1.882182 -0.220955 0.530237
C 3.433871 1.307290 -1.203369
C 3.716391 1.292101 0.169836
C -3.225384 -4.013624 -0.146715
C 2.912773 0.542903 1.057091
C -1.176519 -5.032664 -0.956237
C -3.857207 3.153472 0.858906
C -2.531241 -5.133511 -0.503945
C 3.119155 1.095754 -4.047417
C 0.860927 0.157544 -3.744633
C -5.104020 2.918812 1.408494
C -5.556436 1.578286 1.513285
C 6.135488 0.387607 2.392002
H 1.058263 -2.099320 -1.555126
H -0.022320 1.380786 -0.992273
H -1.402428 3.276993 -0.278207
H 0.470516 -3.746684 -1.390127
H 4.038740 1.924759 -1.866405
H 1.261571 -0.815465 1.208169
H -4.258425 -4.050355 0.207501
H 3.039565 0.602692 2.138379
H -0.650541 -5.946800 -1.224303
H -3.469812 4.167341 0.762973
H -2.989803 -6.120637 -0.449994
H 5.254810 2.675699 -0.032645
H 2.713985 1.588922 -4.947488
H 3.646539 0.179096 -4.356143
H 3.856993 1.790532 -3.605918
H 1.008754 -0.920598 -3.909622
H 0.662578 0.634637 -4.719132
H -0.051602 0.296489 -3.133420
H -5.732555 3.733871 1.757988
H -6.538318 1.351862 1.946298
H 5.545307 -0.391732 1.883295
H 7.154106 0.305421 1.982104
H 6.210536 0.047784 3.437911


%chk=000183368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183368

0 1
S 5.281208 2.825310 1.276570
O 6.347898 3.667597 0.349962
O 3.728108 3.335236 1.409946
N 0.343129 -0.845678 -1.506134
N -3.605736 -1.634197 -0.021697
N 2.435060 -0.389578 -3.143543
N 5.226637 0.660936 0.883591
N -4.944248 0.165651 1.614077
C -0.943432 -1.088591 -0.973671
C -1.664389 -0.103687 -0.231385
C -1.570216 -2.347827 -1.267398
C -2.993835 -0.456371 0.260995
C 1.499672 -0.389498 -0.870878
C -2.926296 -2.552922 -0.786750
C 2.643636 -0.180342 -1.729220
C -3.726855 0.528000 1.082836
C -1.158492 1.235407 -0.014154
C -3.151284 1.831099 1.300286
C -1.871539 2.162741 0.715284
C -0.925080 -3.408026 -1.989747
C 1.631000 -0.211072 0.534916
C 3.873831 0.171150 -1.159785
C 4.018916 0.324270 0.258552
C -3.599043 -3.782637 -1.098295
C 2.866476 0.145713 1.086155
C -1.605695 -4.593861 -2.270498
C -3.884527 2.765711 2.090739
C -2.958247 -4.779296 -1.832213
C 3.593810 -0.898877 -3.909241
C 1.756221 0.744925 -3.835680
C -5.122668 2.391563 2.628550
C -5.606979 1.078274 2.362428
C 5.998904 2.776470 3.044403
H 0.557487 -1.201168 -2.452624
H -0.194298 1.520183 -0.442744
H -1.469869 3.172259 0.862172
H 0.120189 -3.302454 -2.301823
H 4.742328 0.350132 -1.805302
H 0.770766 -0.385271 1.186552
H -4.622038 -3.894952 -0.727076
H 2.979403 0.269998 2.166927
H -1.100080 -5.396842 -2.817993
H -3.468498 3.763978 2.269022
H -3.478311 -5.715048 -2.063818
H 6.016230 0.660048 0.200144
H 3.242120 -1.254392 -4.894082
H 4.051427 -1.746914 -3.373728
H 4.377440 -0.127473 -4.089231
H 1.422019 0.418516 -4.836455
H 2.432482 1.619884 -3.954279
H 0.873221 1.067053 -3.259757
H -5.712504 3.080707 3.240864
H -6.570485 0.750657 2.771219
H 5.324392 2.139031 3.630025
H 7.007918 2.351057 2.963049
H 6.009619 3.818515 3.393630


