%chk=000265506.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265506

0 1
S -0.657229 0.440971 1.126570
S 2.483465 1.128908 -0.283743
O -2.386845 2.721426 0.605434
O 2.701963 3.646294 -1.032112
N -1.440453 5.491427 -0.078899
N 0.685018 5.913388 -0.790018
C -3.652917 -2.098302 -0.044513
C 3.175712 -2.859937 0.156683
C -2.424307 -1.522836 0.678653
C 3.358665 -1.371220 -0.180220
C -3.981962 -3.510644 0.456155
C 4.440244 -3.663181 -0.174288
C -2.112258 -0.122160 0.171234
C 2.091765 -0.589050 0.154957
C -5.208070 -4.089338 -0.264210
C 4.263037 -5.150976 0.160551
C -0.150183 1.916110 0.334451
C 1.097316 2.141771 -0.111377
C -0.750976 4.287872 -0.052238
C -1.227450 2.943562 0.335758
C 0.559530 4.567020 -0.495574
C 1.585662 3.510009 -0.605904
C -5.540970 -5.495206 0.229994
C 5.518814 -5.955502 -0.166866
C -0.530075 6.464557 -0.532582
H -3.473985 -2.117904 -1.136888
H -4.524979 -1.432474 0.107538
H 2.312098 -3.270162 -0.401864
H 2.925808 -2.976261 1.229309
H -2.613993 -1.508061 1.772659
H -1.556577 -2.197721 0.530408
H 4.229604 -0.971016 0.380108
H 3.615115 -1.264510 -1.255102
H -3.111403 -4.178253 0.308373
H -4.163960 -3.492429 1.548222
H 4.693217 -3.548250 -1.246093
H 5.305709 -3.254823 0.382756
H -1.888934 -0.112591 -0.909285
H -2.956753 0.578533 0.342499
H 1.836438 -0.675477 1.229346
H 1.222914 -0.961312 -0.419943
H -5.028237 -4.110447 -1.356958
H -6.081383 -3.424473 -0.114371
H 4.013580 -5.268676 1.233386
H 3.399696 -5.562868 -0.397916
H -5.762873 -5.504324 1.303292
H -4.710665 -6.190383 0.061591
H -6.417340 -5.899908 -0.288774
H 6.386866 -5.598238 0.399020
H 5.773819 -5.892071 -1.230933
H 5.384188 -7.015782 0.075032
H -2.405070 5.612869 0.184490
H -0.781496 7.509748 -0.654498


%chk=000265506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265506

0 1
S -0.853725 0.640200 1.575054
S 2.548412 1.278944 1.220721
O -2.416786 2.759895 -0.054330
O 2.968960 4.000630 0.361046
N -1.239094 5.280392 -1.112583
N 0.946028 5.894828 -0.935244
C -3.515844 -2.294921 0.079653
C 3.044580 -2.747775 0.064288
C -2.554250 -1.518317 1.012873
C 3.342543 -1.270525 0.422259
C -4.080905 -3.574417 0.737680
C 4.325865 -3.549524 -0.259794
C -2.029430 -0.238589 0.344035
C 2.048028 -0.490292 0.712538
C -5.036614 -4.361921 -0.187704
C 4.045357 -5.028606 -0.611816
C -0.169389 2.044575 0.625109
C 1.195034 2.344591 0.643035
C -0.582729 4.220758 -0.502175
C -1.160160 2.978731 0.010256
C 0.758956 4.612746 -0.401304
C 1.749806 3.707058 0.207023
C -5.601182 -5.636365 0.476153
C 5.329337 -5.819926 -0.942354
C -0.283358 6.265868 -1.356807
H -2.984775 -2.567115 -0.856141
H -4.355389 -1.633007 -0.216855
H 2.358535 -2.787051 -0.807517
H 2.510693 -3.233127 0.907505
H -3.087000 -1.255757 1.948573
H -1.707589 -2.174713 1.298250
H 4.009150 -1.239270 1.307602
H 3.892257 -0.787483 -0.408331
H -3.241832 -4.234221 1.042708
H -4.617393 -3.301588 1.670181
H 4.857602 -3.066803 -1.105843
H 5.016399 -3.504991 0.608033
H -1.440166 -0.463088 -0.562018
H -2.831874 0.472753 0.102853
H 1.460095 -0.938545 1.527942
H 1.410574 -0.405359 -0.183464
H -4.499258 -4.635279 -1.118826
H -5.873360 -3.701479 -0.494342
H 3.519157 -5.512149 0.236500
H 3.350391 -5.072848 -1.475343
H -6.168165 -5.388189 1.393220
H -4.787109 -6.328614 0.763112
H -6.281783 -6.179685 -0.204777
H 6.029365 -5.815241 -0.085639
H 5.856423 -5.375814 -1.807738
H 5.103595 -6.873717 -1.188551
H -2.240569 5.307588 -1.312019
H -0.518517 7.214452 -1.833386


