%chk=000282868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282868

0 1
S -3.165260 -1.705751 -1.489767
O -3.769829 -1.267847 -2.735633
O -3.011638 -3.122340 -1.200796
O 1.878846 2.847835 -2.023501
O -7.084694 1.656013 2.736914
O -6.433450 0.064839 4.050444
N 8.970600 -0.646652 1.048399
N 4.862689 1.379483 -0.769981
N 2.112952 0.921703 -0.767636
N -6.456949 0.638094 2.974363
C 6.986071 0.434455 0.061114
C 8.165378 0.619780 1.031971
C 6.041775 1.643618 0.114102
C 3.976570 2.569032 -0.893990
C -1.641064 -0.929629 -1.294046
C -4.136308 -1.023347 -0.185406
C 0.843403 0.325578 -0.984842
C 9.876831 -0.724498 -0.135772
C 9.763462 -0.746959 2.310251
C 2.565679 2.144084 -1.311677
C -0.632990 -1.543599 -0.539362
C -1.386795 0.298122 -1.918843
C 0.602648 -0.928973 -0.372435
C -0.159654 0.934752 -1.765263
C -4.881288 0.133835 -0.413946
C -4.165681 -1.660392 1.055567
C -5.647303 0.686778 0.617777
C -4.925668 -1.122405 2.099262
C -5.652710 0.052242 1.866550
H 7.360429 0.271644 -0.967616
H 6.436954 -0.495895 0.322883
H 8.761147 1.514379 0.753805
H 7.772841 0.806621 2.055755
H 6.589028 2.572031 -0.158413
H 5.662154 1.785437 1.151307
H 5.181300 1.095245 -1.705316
H 3.893031 3.101724 0.083525
H 4.333984 3.331390 -1.625350
H 9.274412 -0.680905 -1.057007
H 10.383832 -1.703400 -0.130508
H 10.644664 0.060950 -0.186260
H 9.071565 -0.780957 3.167218
H 10.484889 0.066232 2.473850
H 10.315449 -1.701360 2.309912
H -0.813800 -2.524540 -0.082418
H -2.156894 0.763259 -2.546181
H 1.375954 -1.417567 0.216416
H 0.029131 1.897529 -2.255773
H 2.794688 0.372219 -0.217775
H -4.885253 0.605067 -1.404560
H -3.609719 -2.592672 1.213724
H -6.237699 1.595644 0.459305
H -4.960912 -1.606028 3.081258


%chk=000282868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000282868

0 1
S -3.015881 -1.539159 -1.567606
O -3.885872 -0.914824 -2.805646
O -2.677288 -3.133657 -1.399968
O 1.962326 3.458379 -2.383863
O -6.896484 1.011823 3.453501
O -5.937504 -0.734985 4.563396
N 8.353411 -0.740801 1.598484
N 4.954889 1.638496 -1.213615
N 2.340117 1.330143 -1.411083
N -6.112508 -0.010762 3.510374
C 6.681406 0.428686 0.114073
C 7.844137 0.565375 1.119726
C 6.014866 1.786293 -0.178614
C 4.211408 2.870211 -1.574341
C -1.375560 -0.615060 -1.495611
C -3.949545 -1.042504 0.019174
C 1.076513 0.709603 -1.457861
C 8.989276 -1.547365 0.536278
C 9.242178 -0.584040 2.769581
C 2.714029 2.592554 -1.848284
C -0.269768 -1.281032 -0.940461
C -1.299044 0.670267 -2.056401
C 0.963886 -0.606005 -0.921353
C -0.062804 1.345686 -2.032459
C -4.817339 0.059703 -0.044482
C -3.781876 -1.843969 1.160067
C -5.537518 0.404774 1.118056
C -4.500770 -1.500566 2.323700
C -5.356842 -0.377639 2.280336
H 7.049108 -0.002957 -0.839168
H 5.934239 -0.274412 0.526018
H 8.660145 1.187004 0.660280
H 7.480395 1.121746 2.006353
H 6.792289 2.527250 -0.481331
H 5.536595 2.175563 0.740815
H 5.327818 1.163923 -2.048484
H 4.255134 3.580403 -0.727156
H 4.612952 3.407408 -2.456805
H 8.263026 -1.778352 -0.261160
H 9.331828 -2.506719 0.962467
H 9.873357 -1.041519 0.068172
H 8.705421 -0.054455 3.576906
H 10.179890 -0.014032 2.544856
H 9.532770 -1.579386 3.150046
H -0.371057 -2.304469 -0.565175
H -2.178026 1.123737 -2.526511
H 1.846558 -1.097934 -0.496889
H 0.043464 2.347695 -2.453391
H 3.168812 0.829004 -1.023869
H -4.942976 0.607534 -0.983942
H -3.131372 -2.723661 1.122684
H -6.228665 1.250976 1.139388
H -4.416749 -2.080074 3.246395


