%chk=000210276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210276

0 1
S 4.721539 -0.344859 1.242892
S 5.303560 0.574790 -0.501762
O 4.139051 1.784406 -0.513761
O 6.545205 1.244443 -0.304854
O 5.024291 -0.271007 -1.610315
N 0.771733 -0.922599 0.463019
C -3.014069 -0.238595 0.738540
C -3.184232 1.158481 0.107502
C -4.194035 -1.195673 0.462467
C -4.605720 1.728889 0.207820
C -4.793681 -1.100853 -0.946638
C -1.692272 -0.886287 0.268603
C -5.470765 1.376442 -1.010929
C -5.940610 -0.083429 -1.031755
C -0.457854 -0.129040 0.780674
C 2.020973 -0.168128 0.794441
C 3.171729 -1.171793 0.759573
H -2.959465 -0.106877 1.849163
H -2.877100 1.126895 -0.956390
H -2.478662 1.856499 0.598150
H -4.987815 -1.002107 1.211315
H -3.869429 -2.237607 0.651616
H -4.547275 2.831322 0.298049
H -5.097351 1.379543 1.135100
H -5.174745 -2.096595 -1.246573
H -4.006958 -0.847384 -1.681749
H -1.677731 -0.952945 -0.835141
H -1.645897 -1.935421 0.628581
H -4.910850 1.599109 -1.940193
H -6.358292 2.039334 -1.030462
H -6.652786 -0.256226 -0.201393
H -6.516582 -0.261766 -1.961226
H -0.511816 -0.020250 1.887216
H -0.431235 0.898214 0.357237
H 0.776539 -1.170030 -0.533740
H 1.919748 0.267975 1.814899
H 2.214087 0.689008 0.105971
H 3.274962 -1.660948 -0.231491
H 3.003183 -1.993768 1.490767
H 4.440127 2.689139 -0.700824


%chk=000210276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210276

0 1
S 4.658968 -0.183450 1.575721
S 5.786680 0.210869 -0.612301
O 5.737394 2.073700 -0.573050
O 7.344047 -0.214728 -0.729450
O 4.753427 -0.299183 -1.759847
N 0.709038 -0.463861 0.409873
C -3.157134 -0.323696 0.781252
C -3.468111 1.146043 0.364060
C -4.236709 -1.354817 0.334065
C -4.958611 1.574773 0.408470
C -4.805481 -1.182229 -1.100683
C -1.753461 -0.762703 0.278307
C -5.735011 1.259187 -0.896682
C -6.031282 -0.236077 -1.161253
C -0.593035 0.116961 0.785914
C 1.933254 0.176571 0.895947
C 3.086913 -0.845613 0.817193
H -3.129961 -0.358070 1.892946
H -3.094121 1.315793 -0.668185
H -2.877545 1.821893 1.014120
H -5.089257 -1.321355 1.041637
H -3.797413 -2.367478 0.440410
H -5.004733 2.669817 0.573410
H -5.467660 1.111211 1.278202
H -5.120574 -2.174821 -1.479245
H -4.016267 -0.827633 -1.795201
H -1.753911 -0.768127 -0.833105
H -1.556555 -1.802683 0.605017
H -5.153427 1.671037 -1.748292
H -6.699000 1.807462 -0.886576
H -6.777537 -0.595092 -0.421766
H -6.513226 -0.324879 -2.156186
H -0.630834 0.178167 1.892903
H -0.703734 1.158906 0.403892
H 0.758874 -0.792238 -0.562371
H 1.767668 0.478622 1.947727
H 2.225283 1.095015 0.336611
H 3.317474 -1.080272 -0.244279
H 2.833747 -1.790885 1.331108
H 6.481324 2.394165 -1.165913


