%chk=000262039.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262039

0 1
S 3.540171 -1.791450 -0.224470
S 3.352364 -2.240076 1.773116
O 2.507629 -0.401301 -1.912602
O 4.390155 0.172344 0.863130
O 1.470170 -1.095844 -3.777503
O 4.586856 0.860735 2.992718
O -1.006070 -3.840057 -1.292563
O 0.209312 2.027667 2.044097
N 0.379428 -2.095307 -0.798830
N 1.761931 0.831640 0.884430
N -1.452530 -1.326787 1.201503
N 0.417919 1.735017 -1.502271
N -4.012367 -2.573618 1.281018
N -1.305047 3.992241 -1.242139
C 1.405346 -2.526966 -1.766433
C 2.350042 0.296115 2.129739
C 2.640720 -3.109340 -1.088114
C 2.014441 -1.178660 2.355344
C 1.760613 -1.304204 -2.625458
C 3.873051 0.483719 2.100810
C -0.788817 -2.835115 -0.635789
C 0.684266 1.700886 0.962435
C -1.781056 -2.319799 0.378409
C 0.128340 2.270009 -0.320098
C -2.414275 -0.902123 2.106302
C -0.166351 2.312069 -2.623620
C -3.700886 -1.533347 2.149793
C -1.025062 3.451852 -2.493274
C -3.082658 -2.955818 0.416628
C -0.752664 3.416138 -0.185400
C -2.126443 0.177552 3.002598
C 0.081784 1.765936 -3.923886
C -4.673866 -1.085581 3.098402
C -1.605369 4.039036 -3.661513
C -3.083718 0.582412 3.896201
C -0.493785 2.350739 -5.022589
C -4.362354 -0.054106 3.947194
C -1.338404 3.495505 -4.892342
H 0.950020 -3.310764 -2.455460
H 1.952059 0.905240 3.005778
H 2.360476 -3.938501 -0.405710
H 3.329122 -3.558164 -1.834307
H 1.900231 -1.395206 3.441621
H 1.034088 -1.445303 1.904026
H 0.590398 -1.277090 -0.220427
H 2.158088 0.504880 -0.012970
H -3.306595 -3.778649 -0.282259
H -0.971147 3.816541 0.818488
H -1.146813 0.670223 2.941206
H 0.715575 0.876033 -4.017264
H -5.646349 -1.582448 3.117048
H -2.252951 4.909923 -3.536864
H -2.884270 1.406315 4.584209
H -0.318030 1.943755 -6.020546
H -5.090827 0.302602 4.677654
H -1.771939 3.927379 -5.796250
H 2.671824 0.451048 -2.421713
H 5.385425 0.278276 0.826969


%chk=000262039-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262039

0 1
S 2.376081 -0.815934 -1.258445
S 3.199184 -1.411152 0.795624
O -1.535268 -0.667300 -2.883071
O 4.323268 2.078392 1.798230
O 0.624789 -0.562047 -3.724498
O 4.143137 0.738836 3.691150
O -1.468231 -4.486251 -0.992457
O -0.432963 1.410792 1.316205
N -0.661572 -2.290398 -0.839249
N 1.858202 1.692534 0.985664
N -1.894874 -1.891844 1.487134
N 1.359471 2.896335 -1.453673
N -3.551782 -3.901474 2.698609
N -1.035805 2.070616 -2.804996
C 0.076176 -2.326385 -2.092709
C 2.210885 0.940475 2.189648
C 1.604918 -2.442618 -1.895706
C 2.005369 -0.595340 2.016523
C -0.234209 -1.110495 -2.989320
C 3.635283 1.223438 2.660692
C -1.384521 -3.371557 -0.385667
C 0.548759 1.795449 0.597756
C -2.082002 -3.105283 0.925986
C 0.345316 2.279472 -0.813873
C -2.545775 -1.633009 2.680856
C 1.169376 3.187098 -2.795004
C -3.380907 -2.652691 3.293059
C -0.027839 2.743408 -3.490891
C -2.910829 -4.110453 1.532623
C -0.868611 1.902324 -1.478759
C -2.395200 -0.355092 3.304553
C 2.186774 3.881091 -3.518860
C -4.039052 -2.365401 4.526882
C -0.160418 2.985513 -4.889163
C -3.055926 -0.106464 4.510623
C 2.023700 4.120584 -4.885101
C -3.875760 -1.111334 5.123303
C 0.848838 3.669678 -5.571807
H -0.266160 -3.245055 -2.618386
H 1.527582 1.245654 3.008842
H 1.840614 -3.231003 -1.165421
H 2.108682 -2.642015 -2.854032
H 2.226125 -1.100848 2.973694
H 0.965655 -0.806171 1.722221
H -0.700876 -1.443361 -0.258770
H 2.591864 2.051806 0.365024
H -3.030061 -5.079482 1.039799
H -1.654033 1.392607 -0.914385
H -1.770158 0.392655 2.805168
H 3.080358 4.201505 -2.975077
H -4.662133 -3.146721 4.972501
H -1.063072 2.631609 -5.396077
H -2.952477 0.869633 4.996923
H 2.801934 4.650311 -5.444313
H -4.380938 -0.887526 6.069217
H 0.747852 3.861947 -6.645064
H -1.623891 0.272324 -3.264140
H 5.256352 2.206821 2.118606


