%chk=000264209.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264209

0 1
S 4.017585 -1.877884 -1.606461
S -2.927952 -1.087473 -1.014177
O 2.384146 -2.192583 -1.261211
O -2.811841 -1.646203 0.575519
O 0.026247 -0.805401 3.504912
O 4.177963 -2.171070 -3.003162
O 4.764584 -2.595308 -0.599843
O -3.815266 -1.996669 -1.695513
O -1.559693 -0.967129 -1.479611
O 1.270028 2.965770 1.244163
N 0.186760 -2.456628 1.136039
N 0.645384 1.047491 2.380797
N 0.919186 1.056814 0.007508
C 0.554797 -3.164736 -0.130356
C -1.105128 -2.923796 1.713325
C 0.335114 -1.024703 1.094172
C 2.082259 -3.207207 -0.279510
C -2.327506 -2.983311 0.785542
C 0.309389 -0.358557 2.415194
C 0.606839 -0.312870 -0.037573
C 4.032544 -0.190470 -1.313938
C -3.646791 0.432846 -0.730207
C 0.976658 1.780422 1.222542
C 3.620162 0.705009 -2.307470
C -2.868079 1.512572 -0.289721
C 4.422156 0.292819 -0.056449
C -5.024152 0.603073 -0.926525
C 3.903492 2.557168 -0.762336
C -4.840868 2.925158 -0.246552
C 3.544905 2.069895 -2.033317
C -3.457735 2.750954 -0.049902
C 4.359026 1.655333 0.219451
C -5.619231 1.840820 -0.689260
C 3.759185 3.999229 -0.431366
C -5.466322 4.250749 0.021911
H 0.107809 -2.694818 -1.046219
H 0.167160 -4.205437 -0.082578
H -0.913828 -3.943324 2.125333
H -1.352787 -2.286690 2.601253
H 2.426300 -4.181147 -0.672364
H 2.615238 -2.975968 0.663941
H -3.169427 -3.503029 1.289538
H -2.122897 -3.492529 -0.171517
H 0.593807 -0.773329 -1.048495
H 0.662337 1.554138 3.277687
H 1.213241 1.533841 -0.850400
H 3.351782 0.334172 -3.303977
H -1.790962 1.386279 -0.135882
H 4.775037 -0.404551 0.713651
H -5.637205 -0.238555 -1.272581
H 3.222125 2.762180 -2.809093
H -2.847901 3.585778 0.294763
H 4.653435 2.028141 1.200314
H -6.689988 1.965324 -0.844980
H 2.870103 4.145308 0.221017
H 3.621278 4.641148 -1.309818
H 4.619951 4.392143 0.127698
H -5.444129 4.487640 1.098045
H -6.517077 4.305609 -0.294564
H -4.934244 5.065358 -0.492882


%chk=000264209-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000264209

0 1
S 4.386636 -1.934578 -1.073354
S -3.615667 -1.499804 -0.756516
O 2.477822 -2.072643 -1.219221
O -2.934893 -1.813646 0.967398
O 0.170727 -0.522903 2.957671
O 5.088246 -2.291303 -2.490128
O 4.816131 -2.712545 0.287402
O -4.930506 -2.411201 -1.012703
O -2.365546 -1.609791 -1.792202
O 0.834388 3.220858 0.256031
N 0.047914 -2.318060 0.618027
N 0.388845 1.296150 1.540934
N 0.599060 1.113726 -0.763145
C 0.410637 -3.165589 -0.532266
C -0.843636 -2.930202 1.625572
C 0.173707 -0.917033 0.524529
C 1.934893 -3.350733 -0.736097
C -2.293053 -3.138467 1.132925
C 0.233431 -0.102413 1.762738
C 0.356406 -0.260391 -0.685076
C 4.386762 -0.081487 -0.812742
C -4.107214 0.280444 -0.465819
C 0.623235 1.973172 0.335541
C 4.558275 0.742443 -1.935159
C -3.107329 1.264713 -0.520712
C 4.181035 0.406419 0.488723
C -5.459058 0.554123 -0.211957
C 4.265346 2.691129 -0.445800
C -4.852538 2.942127 -0.048401
C 4.497839 2.140688 -1.734107
C -3.496161 2.603443 -0.310664
C 4.128498 1.805174 0.658851
C -5.821102 1.904985 -0.008862
C 4.122282 4.185668 -0.246665
C -5.247021 4.387183 0.189717
H -0.061998 -2.826698 -1.475187
H 0.009425 -4.177464 -0.336623
H -0.436909 -3.921957 1.909784
H -0.839861 -2.303906 2.530735
H 2.099910 -4.146523 -1.491019
H 2.416984 -3.633183 0.219877
H -2.882764 -3.698817 1.883049
H -2.312927 -3.702006 0.178747
H 0.352863 -0.784177 -1.637331
H 0.405036 1.871198 2.388981
H 0.828432 1.538263 -1.663203
H 4.742273 0.307371 -2.922797
H -2.069170 0.997252 -0.734531
H 4.073316 -0.279861 1.334948
H -6.198625 -0.252327 -0.187851
H 4.627664 2.810667 -2.591413
H -2.735542 3.392162 -0.345360
H 3.964606 2.217441 1.660812
H -6.870220 2.152635 0.186268
H 3.056841 4.432200 -0.075316
H 4.470501 4.752602 -1.126518
H 4.689279 4.534193 0.635117
H -4.828869 4.757345 1.144865
H -6.342002 4.510278 0.232887
H -4.859633 5.045463 -0.608878


