%chk=000285554.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285554

0 1
S -0.000378 1.784690 0.009185
O -0.167837 2.526464 -1.238914
O 0.167543 2.516544 1.263075
N -4.629749 -1.869536 0.658713
N 4.626745 -1.867216 -0.668789
N -8.024313 -1.659951 -0.083252
N 8.021619 -1.664431 0.073114
C -1.358516 0.733821 0.186321
C 1.357104 0.734394 -0.176172
C -3.588185 -0.948759 0.475453
C 3.585753 -0.947231 -0.478418
C -1.773683 0.326272 1.460886
C 1.771654 0.336043 -1.453840
C -2.077061 0.314469 -0.938804
C 2.075758 0.306338 0.945601
C -2.872904 -0.507081 1.620261
C 2.870362 -0.496717 -1.619710
C -3.182265 -0.519169 -0.811482
C 3.180465 -0.526941 0.811780
C -5.650156 -2.105956 -0.384609
C 5.647448 -2.111747 0.372373
C -6.797447 -1.114721 -0.315808
C 6.795102 -1.120474 0.310481
C -6.602893 0.263983 -0.490546
C 6.601224 0.256939 0.495787
C -9.104289 -0.831124 -0.023964
C 9.101904 -0.835628 0.019525
C -7.717828 1.107042 -0.423024
C 7.716477 1.100028 0.434052
C -8.981149 0.566114 -0.189965
C 8.979441 0.560364 0.196199
C -10.432803 -1.463278 0.227348
C 10.430016 -1.466400 -0.237312
H -1.233248 0.681832 2.346615
H 1.231159 0.698439 -2.336751
H -1.774249 0.657532 -1.935491
H 1.773419 0.642183 1.944892
H -3.180485 -0.816738 2.614560
H 3.177472 -0.799185 -2.616364
H -3.723190 -0.845445 -1.695827
H 3.721472 -0.860042 1.693525
H -4.986903 -1.980348 1.608914
H 4.983475 -1.971288 -1.619913
H -5.189806 -2.076902 -1.401182
H -6.031757 -3.151816 -0.250368
H 5.187473 -2.090060 1.389297
H 6.028603 -3.156729 0.230239
H -5.608954 0.670413 -0.671187
H 5.607556 0.662408 0.680045
H -7.595476 2.183326 -0.553623
H 7.594642 2.175339 0.572882
H -9.859496 1.203379 -0.135640
H 9.858027 1.197656 0.146232
H -11.128989 -1.273194 -0.601943
H -10.354596 -2.557794 0.339764
H -10.893226 -1.075787 1.147155
H 10.890096 -1.072121 -1.154401
H 10.351290 -2.559998 -0.357994
H 11.126732 -1.282906 0.593017


%chk=000285554-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285554

0 1
S -0.000096 1.932871 0.012958
O -0.504374 2.718386 -1.338536
O 0.504841 2.705521 1.371596
N -4.643811 -1.587204 1.757953
N 4.638996 -1.576768 -1.765112
N -7.730085 -1.715234 -0.358123
N 7.728609 -1.721885 0.344954
C -1.416484 0.811439 0.534489
C 1.415035 0.814765 -0.518951
C -3.585114 -0.784303 1.333341
C 3.581488 -0.776354 -1.332914
C -1.503974 0.418275 1.882406
C 1.501359 0.433240 -1.870296
C -2.388508 0.463997 -0.417253
C 2.387295 0.458091 0.429139
C -2.585674 -0.386169 2.276693
C 2.581907 -0.368968 -2.272178
C -3.476443 -0.336629 -0.019722
C 3.474156 -0.340185 0.024009
C -5.676171 -2.136612 0.882894
C 5.672450 -2.133252 -0.895858
C -6.809823 -1.177560 0.501568
C 6.806945 -1.177427 -0.508948
C -6.906107 0.140068 0.998383
C 6.902585 0.144003 -0.995687
C -8.793129 -0.951109 -0.753043
C 8.792461 -0.961006 0.743933
C -8.004140 0.931981 0.587653
C 8.001461 0.932538 -0.580755
C -8.958275 0.384416 -0.294007
C 8.957036 0.378020 0.294986
C -9.787237 -1.589909 -1.701663
C 9.788085 -1.607277 1.685874
H -0.752815 0.758382 2.602980
H 0.750226 0.780476 -2.587490
H -2.310595 0.845278 -1.441060
H 2.310451 0.830591 1.456257
H -2.669506 -0.708850 3.321847
H 2.664774 -0.682659 -3.320144
H -4.249548 -0.589887 -0.750408
H 4.247452 -0.600429 0.752025
H -4.669244 -1.845367 2.743282
H 4.663526 -1.826459 -2.752647
H -5.226713 -2.526679 -0.051798
H -6.131953 -3.012240 1.380751
H 5.224240 -2.530338 0.036463
H 6.127183 -3.005190 -1.401095
H -6.141569 0.529991 1.675332
H 6.136970 0.539348 -1.668258
H -8.107165 1.961305 0.947630
H 8.104034 1.964598 -0.932942
H -9.817859 0.973599 -0.630504
H 9.817298 0.964443 0.634554
H -9.869003 -1.015873 -2.643478
H -9.465628 -2.615570 -1.939368
H -10.798593 -1.629798 -1.255476
H 10.798503 -1.644561 1.237336
H 9.466333 -2.634446 1.916776
H 9.872136 -1.040124 2.631646


