%chk=000270143.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270143

0 1
S -6.184489 0.894457 0.308805
O 1.902902 0.481561 -0.169695
O -6.474564 0.806442 1.725778
O -6.710248 1.975086 -0.503155
O 0.490077 -0.415859 1.397966
N -6.755915 -0.573124 -0.399913
N -0.286212 0.817340 -0.461061
C 3.074543 -0.112559 0.528361
C 3.299076 -1.474631 -0.080951
C 4.186682 0.883581 0.312504
C -4.462421 0.862195 0.102085
C -1.690348 0.817934 -0.230410
C -3.648270 0.260200 1.067290
C -3.882431 1.470097 -1.016294
C 2.589018 -2.567065 0.444523
C 5.248226 0.916385 1.229613
C 4.181341 -1.669149 -1.151393
C 4.174988 1.762953 -0.778207
C -2.265023 0.222858 0.908078
C -2.502248 1.450479 -1.199682
C 0.667820 0.216190 0.380393
C -6.399247 -1.813040 0.325625
C -6.613242 -0.667967 -1.870131
C 2.772049 -3.843037 -0.091206
C 6.292126 1.827318 1.050506
C 4.362193 -2.949484 -1.684371
C 5.219176 2.676691 -0.947907
C 3.660698 -4.036404 -1.155072
C 6.278433 2.709001 -0.035957
H 2.808241 -0.188235 1.613945
H -4.097128 -0.179745 1.966701
H -4.517464 1.977428 -1.753821
H 1.884079 -2.414143 1.266775
H 5.264620 0.232980 2.077720
H 4.730969 -0.825376 -1.570452
H 3.345085 1.734249 -1.485426
H -1.634642 -0.255135 1.666427
H -2.064761 1.926476 -2.073655
H 0.064946 1.303246 -1.294660
H -7.030236 -2.645800 -0.033484
H -5.345798 -2.115548 0.216925
H -6.632069 -1.686057 1.401715
H -5.581237 -0.836826 -2.215709
H -7.238145 -1.496249 -2.249632
H -7.005871 0.258294 -2.334665
H 2.221464 -4.688113 0.319527
H 7.117549 1.851831 1.760854
H 5.051684 -3.097671 -2.514003
H 5.206353 3.363804 -1.792659
H 3.804189 -5.032791 -1.570321
H 7.091983 3.420230 -0.169922


%chk=000270143-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270143

0 1
S -6.337773 0.961966 0.114872
O 1.946650 0.553404 -0.243262
O -6.664815 1.019883 1.706387
O -6.868270 2.065222 -0.956477
O 0.526038 -0.221780 1.477424
N -7.077540 -0.685750 -0.475154
N -0.277401 0.772090 -0.521540
C 3.141645 -0.030066 0.475202
C 3.363498 -1.449061 -0.032634
C 4.304581 0.940046 0.283041
C -4.457501 0.884891 -0.066193
C -1.678480 0.788611 -0.324701
C -3.693689 0.384396 1.002219
C -3.879286 1.357085 -1.258023
C 2.916562 -2.546083 0.744452
C 5.624624 0.499584 0.560674
C 3.968860 -1.691325 -1.292300
C 4.094667 2.292717 -0.078762
C -2.291311 0.329967 0.875056
C -2.479101 1.305819 -1.382466
C 0.699776 0.309412 0.353400
C -6.649593 -1.797910 0.403187
C -6.834337 -0.881559 -1.922142
C 3.077218 -3.868853 0.274111
C 6.712219 1.395468 0.477155
C 4.123771 -3.011313 -1.765640
C 5.185369 3.187091 -0.170034
C 3.680455 -4.104274 -0.982440
C 6.497723 2.744073 0.109427
H 2.860682 -0.071348 1.545837
H -4.183243 0.072548 1.930607
H -4.506833 1.782449 -2.047697
H 2.430916 -2.359084 1.709317
H 5.801515 -0.545272 0.840161
H 4.319460 -0.845340 -1.894358
H 3.079944 2.638698 -0.294363
H -1.669976 -0.052720 1.686683
H -2.003934 1.676227 -2.298759
H 0.082126 1.139681 -1.405593
H -7.337875 -2.643179 0.220664
H -5.606824 -2.144761 0.222134
H -6.766137 -1.486617 1.454565
H -5.800523 -1.214937 -2.168594
H -7.545000 -1.651816 -2.273113
H -7.063904 0.058307 -2.451222
H 2.731468 -4.710937 0.883586
H 7.725280 1.040652 0.697004
H 4.591109 -3.190912 -2.740293
H 5.008401 4.230119 -0.455778
H 3.805305 -5.129311 -1.349287
H 7.341986 3.439105 0.041962


