%chk=000191650.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191650

1 1
S 2.024220 -2.295407 -0.842471
O 3.479113 -0.305982 -1.584632
O 2.826245 -4.130178 -0.345401
N -0.075803 -0.826885 -1.138721
N -3.910975 0.975475 0.961504
N -1.832697 1.399914 2.120252
N -3.989590 0.275655 -1.274293
C 1.270044 -0.783236 -1.185100
C -0.574355 -2.131800 -0.808476
C 0.443420 -3.025303 -0.614485
C -0.965639 0.353001 -1.401675
C 2.197538 0.345236 -1.544379
C 0.415899 -4.461684 -0.271756
C -2.023857 -2.396175 -0.716882
C -1.785448 0.709343 -0.209038
C 2.155420 1.499281 -0.574883
C 1.766887 -4.891706 0.308585
C -3.207735 0.680307 -0.189184
C 1.876586 2.788870 -1.047540
C 2.426337 1.293416 0.786673
C -1.156533 1.109887 0.994251
C 1.853952 3.866272 -0.156526
C 2.404119 2.373849 1.671680
C 2.115148 3.660379 1.201831
C -3.216015 1.312005 2.083393
C -3.969636 1.623677 3.322378
H -1.595028 0.106604 -2.290598
H -0.326785 1.224293 -1.696012
H 2.022999 0.665983 -2.607622
H 0.157049 -5.065604 -1.173702
H -0.393708 -4.686033 0.463578
H -2.246064 -3.474558 -0.663826
H -2.470702 -1.937347 0.185421
H -2.594264 -2.006674 -1.576880
H 1.966055 -5.970308 0.195043
H 1.886205 -4.602302 1.373720
H 1.693417 2.966341 -2.107580
H 2.658033 0.295319 1.159587
H 4.114273 0.102383 -0.945113
H -0.059966 1.195202 1.051168
H 1.639841 4.872175 -0.524080
H 2.613306 2.215835 2.732094
H 2.098194 4.503845 1.896338
H -5.000835 0.369676 -1.161799
H -3.670124 0.503411 -2.204407
H 3.087630 -4.586401 -1.201783
H -3.545265 1.104883 4.199905
H -3.922089 2.704033 3.552951
H -5.037217 1.352933 3.247892


%chk=000191650-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191650

1 1
S 2.167271 -2.209690 -1.068443
O 3.410366 0.025423 -2.118336
O 2.900801 -4.528361 0.355183
N -0.035116 -0.825727 -1.262731
N -3.918345 1.062652 0.906702
N -1.842385 1.126526 2.165725
N -4.006827 0.739223 -1.390857
C 1.306619 -0.701939 -1.410454
C -0.484648 -2.129927 -0.888761
C 0.568654 -3.012057 -0.723676
C -1.002051 0.311344 -1.482922
C 2.078616 0.546325 -1.781956
C 0.524633 -4.468697 -0.352148
C -1.950045 -2.430421 -0.729200
C -1.801177 0.662142 -0.242224
C 2.113890 1.591158 -0.663979
C 1.525941 -4.840881 0.771070
C -3.224552 0.827122 -0.255618
C 1.667420 2.910524 -0.920801
C 2.633114 1.256807 0.614427
C -1.174089 0.860738 1.009791
C 1.723994 3.888822 0.097610
C 2.692338 2.237248 1.627380
C 2.231870 3.551864 1.373013
C -3.217457 1.191010 2.067902
C -3.986687 1.443830 3.335012
H -1.659797 0.000571 -2.314326
H -0.409654 1.172536 -1.830700
H 1.621174 1.002804 -2.687574
H 0.740292 -5.093730 -1.241937
H -0.495439 -4.728017 -0.015447
H -2.117776 -3.517565 -0.756679
H -2.342945 -2.047806 0.228949
H -2.560201 -1.986608 -1.535125
H 1.412135 -5.909405 1.033273
H 1.345906 -4.231592 1.671559
H 1.293929 3.183581 -1.916767
H 3.001241 0.242950 0.811115
H 4.074504 0.759032 -2.078529
H -0.082282 0.797888 1.100517
H 1.380528 4.908295 -0.104376
H 3.093714 1.980108 2.612882
H 2.273980 4.308567 2.162876
H -5.010215 0.870758 -1.255131
H -3.636288 0.811174 -2.334338
H 3.304091 -5.294891 -0.123439
H -3.638358 0.771139 4.136989
H -3.804020 2.476144 3.686791
H -5.065067 1.310909 3.167108


