%chk=000186423.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186423

0 1
S -1.058363 1.624719 -0.272511
O 0.542130 -2.243632 -2.739748
O -2.068040 2.145218 -1.183036
O -0.156592 2.545658 0.390013
N -0.125079 0.504811 -1.179339
C -0.680072 -1.630327 -2.209662
C -0.763459 -0.118991 -2.362517
C 1.368062 0.549051 -1.234070
C -0.724526 -2.523230 -3.417224
C 1.899041 1.938321 -1.646656
C 1.905566 0.053308 0.099825
C -1.864059 0.628207 0.892064
C 3.389922 1.888994 -1.961664
C 2.120734 -1.325800 0.257135
C 2.192539 0.921913 1.161156
C -3.257535 0.505283 0.828991
C -1.147746 -0.033208 1.892082
C 2.629030 -1.824810 1.458479
C 2.704545 0.419614 2.361037
C 2.925689 -0.952623 2.511519
C -3.933410 -0.283185 1.762925
C -1.823284 -0.824521 2.828324
C -3.214084 -0.948499 2.763315
H -0.961521 -2.020104 -1.224827
H -1.832059 0.194933 -2.456089
H -0.269683 0.205247 -3.309496
H 1.695723 -0.189528 -2.027911
H -1.057437 -3.555228 -3.333395
H -0.793610 -2.111279 -4.420997
H 1.705348 2.686363 -0.843799
H 1.339809 2.304102 -2.529663
H 3.970521 1.535197 -1.099513
H 3.768390 2.883935 -2.223720
H 3.610216 1.220958 -2.801965
H 1.888183 -2.007997 -0.564388
H 1.996966 1.995567 1.053509
H -3.820103 1.032372 0.048246
H -0.056906 0.059880 1.953813
H 2.798956 -2.893644 1.572684
H 2.932208 1.102181 3.178028
H 3.330027 -1.341207 3.443555
H -5.017081 -0.376432 1.715448
H -1.262534 -1.339822 3.606905
H -3.741122 -1.563066 3.494037


%chk=000186423-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186423

0 1
S -1.189647 1.506880 -0.286208
O 0.638707 -2.069401 -3.335616
O -2.472728 1.875449 -1.239898
O -0.245723 2.686670 0.329782
N -0.167192 0.176273 -1.253271
C -0.708043 -1.475859 -2.954685
C -0.702657 0.006106 -2.631121
C 1.335792 0.338596 -1.171990
C -0.476430 -1.965313 -4.350440
C 1.899525 1.658440 -1.767832
C 1.828929 -0.019811 0.234348
C -1.894160 0.499106 1.155750
C 3.409559 1.561227 -2.078502
C 1.765775 -1.377048 0.644243
C 2.347069 0.939317 1.139960
C -3.204252 0.015670 1.010171
C -1.110875 0.315142 2.305068
C 2.203279 -1.769950 1.927106
C 2.789895 0.549441 2.425512
C 2.718696 -0.804847 2.825241
C -3.758881 -0.708558 2.090832
C -1.684850 -0.412573 3.373516
C -2.999666 -0.924152 3.265235
H -1.267048 -2.106781 -2.252207
H -1.736067 0.406723 -2.660089
H -0.113212 0.553911 -3.394801
H 1.661717 -0.484743 -1.846602
H -0.904501 -2.924509 -4.664816
H -0.297236 -1.237205 -5.151897
H 1.686420 2.502426 -1.090613
H 1.357321 1.878899 -2.708394
H 4.000915 1.372718 -1.164883
H 3.776129 2.500715 -2.530205
H 3.618154 0.738776 -2.788763
H 1.366903 -2.123962 -0.052759
H 2.393025 1.993726 0.853561
H -3.770919 0.226781 0.097668
H -0.098019 0.722902 2.373210
H 2.149602 -2.823392 2.224111
H 3.189497 1.304129 3.112427
H 3.067651 -1.106264 3.819545
H -4.780625 -1.095156 2.015197
H -1.100632 -0.577187 4.284697
H -3.435898 -1.484614 4.099314


