%chk=000296317.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296317

0 1
S 3.311387 0.722043 0.877970
O 0.557149 -1.569888 -1.669004
O 3.325859 2.720678 1.951005
N -1.471295 -0.113267 -1.063776
N -5.110133 -0.358891 -0.124620
C 3.032244 -2.629690 -1.537856
C 4.347766 -3.279186 -1.092179
C 5.446838 -2.223668 -0.923137
C 2.694207 -1.387811 -0.749206
C 5.042464 -1.186939 0.137914
C 3.622012 -0.747784 -0.020836
C 0.759688 0.181689 -0.111110
C 1.287314 -0.946465 -0.890835
C 1.564733 0.947140 0.743401
C -0.639148 0.533074 -0.185286
C 1.071565 1.977442 1.545466
C -2.931075 0.107859 -1.128665
C -3.666575 -0.747574 -0.069704
C -1.141469 1.584811 0.645067
C -0.301098 2.285345 1.482577
C -5.738112 -0.338660 1.237711
C -5.871792 -1.242289 -1.070827
C 1.982393 2.707581 2.484969
C -5.220913 0.858463 2.036783
C -7.164400 -0.548964 -1.503552
H 2.197939 -3.359477 -1.460145
H 3.079020 -2.356310 -2.613809
H 4.659091 -4.041988 -1.829384
H 4.194528 -3.818295 -0.137182
H 6.401515 -2.701590 -0.637740
H 5.629611 -1.715812 -1.890317
H 5.170371 -1.623344 1.154567
H 5.739253 -0.322845 0.093830
H -3.183283 1.184794 -0.983978
H -3.277099 -0.152893 -2.153729
H -3.486295 -1.827733 -0.248452
H -3.240470 -0.532868 0.935784
H -1.093983 -0.903466 -1.633079
H -2.199918 1.836443 0.602517
H -0.699948 3.085992 2.108367
H -5.569878 -1.280231 1.803556
H -6.839830 -0.239098 1.105792
H -6.098548 -2.241062 -0.638877
H -5.239618 -1.422448 -1.968952
H 2.109912 2.160818 3.443192
H 1.659215 3.742526 2.687235
H -5.773506 0.971970 2.974958
H -5.333836 1.788585 1.463636
H -4.157235 0.760609 2.283436
H -7.880848 -0.462160 -0.678793
H -6.961872 0.471339 -1.857522
H -7.651582 -1.097271 -2.316180
H 3.376885 3.355365 1.192501


%chk=000296317-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296317

0 1
S 3.483211 0.581115 0.987761
O 0.529199 -1.595869 -1.655225
O 3.102058 3.566960 2.012051
N -1.431139 -0.135670 -0.910199
N -5.147629 -0.357717 -0.071744
C 3.006513 -2.700102 -1.631498
C 4.357147 -3.374224 -1.314799
C 5.475760 -2.320458 -1.179302
C 2.718844 -1.473482 -0.770178
C 5.160437 -1.368979 -0.003423
C 3.718588 -0.885736 -0.033707
C 0.842113 0.149364 -0.005820
C 1.329193 -0.973601 -0.834786
C 1.689491 0.890253 0.879546
C -0.578308 0.521785 -0.054712
C 1.211850 1.934806 1.719296
C -2.871723 0.109006 -1.011937
C -3.694844 -0.590325 0.106746
C -1.045602 1.573755 0.792058
C -0.168467 2.246170 1.648841
C -5.885205 -0.175751 1.206629
C -5.780021 -1.349281 -0.983850
C 2.103083 2.694454 2.678547
C -5.630456 1.201065 1.849526
C -7.037933 -0.807554 -1.689862
H 2.168138 -3.410237 -1.515961
H 2.970156 -2.390907 -2.695588
H 4.603328 -4.102666 -2.109701
H 4.280184 -3.944477 -0.367179
H 6.457277 -2.801286 -1.010818
H 5.551210 -1.739132 -2.118973
H 5.337433 -1.892872 0.958765
H 5.845502 -0.498894 -0.010338
H -3.101145 1.190997 -0.996175
H -3.204249 -0.268286 -1.996013
H -3.437253 -1.676509 0.117257
H -3.376836 -0.185287 1.083967
H -0.959223 -0.880552 -1.470462
H -2.100791 1.857625 0.771355
H -0.558184 3.043440 2.294582
H -5.642508 -0.986860 1.939053
H -6.964797 -0.265369 0.987995
H -6.027497 -2.298040 -0.443037
H -5.034470 -1.619251 -1.755402
H 2.731547 2.016973 3.283577
H 1.471373 3.292931 3.366448
H -6.211137 1.306219 2.785003
H -5.927768 2.004538 1.153347
H -4.563611 1.344713 2.102358
H -7.831554 -0.536961 -0.970061
H -6.786908 0.095256 -2.273416
H -7.454790 -1.569706 -2.374638
H 2.629614 4.119214 1.337596


