%chk=000205995.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205995

0 1
S -1.742006 -0.570663 -3.201700
O 1.710989 -1.601331 -1.811642
O -3.503929 -1.485895 2.102883
O -5.139573 0.233329 2.165944
N 0.130876 0.023817 -1.443453
N 3.975822 1.130518 0.094422
C -1.184431 0.550506 -1.840600
C 0.933921 0.781210 -0.444445
C 1.919559 1.752876 -1.114189
C -2.236539 0.493195 -0.766752
C 3.318779 1.125661 -1.248630
C 0.620305 -1.129723 -2.069098
C -0.345896 -1.709981 -3.075497
C 5.113053 0.161319 0.160365
C 5.867331 0.311645 1.504356
C -2.250506 -0.582632 0.160690
C -3.200063 1.504165 -0.723914
C -3.262189 -0.565765 1.091240
C -4.246800 0.468118 1.130067
C 5.004150 -0.169333 2.674781
C 7.186386 -0.469697 1.442971
C -4.239403 1.513253 0.234862
C -4.698515 -1.010359 2.806487
H -1.074605 1.587025 -2.255432
H 1.496370 0.044786 0.185664
H 0.242538 1.322618 0.235252
H 1.556578 2.058404 -2.113296
H 1.975349 2.682838 -0.514876
H 3.904447 1.664625 -2.021638
H 3.214385 0.069812 -1.604645
H -0.682054 -2.719064 -2.760834
H 0.145105 -1.836390 -4.062042
H 4.685550 -0.863883 0.079477
H 5.824576 0.273691 -0.685194
H 6.106979 1.392658 1.663715
H 4.310988 2.074979 0.309381
H -1.503097 -1.372764 0.132603
H -3.170692 2.319174 -1.447902
H 4.028026 0.334618 2.668366
H 5.482642 0.030187 3.637434
H 4.805119 -1.244844 2.616519
H 7.016364 -1.535108 1.251079
H 7.730875 -0.396240 2.390847
H 7.845985 -0.092428 0.655338
H -4.985705 2.302154 0.256771
H -4.409813 -0.773010 3.838778
H -5.490535 -1.758470 2.670287


%chk=000205995-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205995

0 1
S -0.974579 -1.130999 -2.972490
O 2.200880 -1.607205 -0.595273
O -3.798883 -1.296616 2.133480
O -5.400833 0.449133 1.730967
N 0.456552 -0.062800 -0.916067
N 3.961397 1.495185 0.041418
C -0.786012 0.257758 -1.630261
C 0.964397 0.904479 0.089391
C 1.633325 2.144823 -0.547014
C -2.009953 0.350065 -0.739179
C 3.051777 1.820266 -1.075469
C 1.135536 -1.245542 -1.176585
C 0.463995 -2.105588 -2.252432
C 5.016091 0.490207 -0.213882
C 5.746917 0.078656 1.089556
C -2.218722 -0.608983 0.297143
C -2.953928 1.380603 -0.964268
C -3.381512 -0.483178 1.051405
C -4.325308 0.543562 0.816416
C 4.777089 -0.590058 2.090091
C 6.935913 -0.852022 0.754549
C -4.139931 1.495074 -0.186915
C -5.127410 -0.768639 2.543520
H -0.671590 1.195454 -2.203100
H 1.723270 0.376190 0.694512
H 0.121742 1.197265 0.741938
H 1.004796 2.558136 -1.362181
H 1.707676 2.933758 0.227433
H 3.412886 2.665143 -1.708490
H 2.997235 0.935377 -1.736688
H 0.113623 -3.050452 -1.806334
H 1.196427 -2.328149 -3.043710
H 4.521078 -0.404689 -0.637768
H 5.778993 0.837180 -0.956771
H 6.155763 1.001808 1.559396
H 4.328732 2.335810 0.506403
H -1.495466 -1.406378 0.488375
H -2.772093 2.108974 -1.763021
H 3.930047 0.080507 2.316752
H 5.293674 -0.846056 3.034454
H 4.358914 -1.517985 1.656482
H 6.575791 -1.780273 0.270579
H 7.483127 -1.141304 1.670671
H 7.653309 -0.365000 0.066676
H -4.868859 2.290018 -0.361204
H -5.089483 -0.487006 3.608647
H -5.899697 -1.526907 2.323646


