%chk=000267922.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267922

0 1
S -2.525857 -0.025627 0.231402
O 2.208674 -1.925610 -2.397254
O 0.186714 0.885835 0.697321
N 1.291263 -0.455903 -0.841604
N -0.080685 -2.010577 -2.098445
N -1.213691 -1.593300 -1.491879
C 2.676131 0.065130 -0.525837
C 3.112290 -0.528298 0.801297
C 2.755263 1.577927 -0.628977
C 1.231094 -1.497971 -1.815661
C 0.128502 0.028479 -0.145825
C 4.014682 -1.602967 0.790536
C 2.028636 2.258582 -1.619020
C 2.624351 -0.043755 2.022897
C 3.628511 2.298324 0.198936
C -1.122323 -0.646886 -0.596909
C 4.432807 -2.177851 1.993660
C 2.154084 3.643078 -1.757504
C 3.043614 -0.622523 3.223250
C 3.753495 3.683120 0.054259
C 3.949211 -1.688274 3.211221
C 3.014902 4.359763 -0.920343
C -0.234715 -3.123859 -3.073386
C -3.904268 -1.003900 -0.451998
C -5.104043 -0.476035 0.262300
C -5.828335 0.600710 -0.274739
C -5.514350 -1.053597 1.474944
C -6.953471 1.089107 0.394213
C -6.640453 -0.560037 2.138421
C -7.362198 0.510077 1.599903
H 3.361238 -0.331000 -1.344404
H 4.388640 -1.996261 -0.155317
H 1.360473 1.715361 -2.284718
H 1.909352 0.787149 2.031223
H 4.216927 1.786253 0.961001
H 5.134780 -3.009782 1.981132
H 1.578331 4.164396 -2.520583
H 2.660422 -0.242460 4.169122
H 4.428968 4.234663 0.706411
H 4.275331 -2.137367 4.147491
H 3.109199 5.438301 -1.027714
H -1.014229 -2.879922 -3.816179
H 0.725371 -3.286268 -3.602309
H -0.517087 -4.057488 -2.556136
H -3.966965 -0.877840 -1.551006
H -3.740683 -2.085885 -0.277660
H -5.511650 1.060423 -1.209779
H -4.952918 -1.882763 1.903117
H -7.511847 1.925096 -0.024596
H -6.954832 -1.009593 3.079245
H -8.238658 0.892928 2.119182


%chk=000267922-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267922

0 1
S -2.526561 0.082443 0.591603
O 2.178092 -1.899527 -2.349502
O 0.320437 0.916484 0.948705
N 1.289939 -0.426413 -0.727896
N -0.120830 -1.944359 -1.913923
N -1.256896 -1.507624 -1.242439
C 2.689931 0.089638 -0.460318
C 3.253322 -0.537158 0.821413
C 2.776449 1.616447 -0.597815
C 1.182415 -1.458013 -1.708611
C 0.198729 0.050202 0.041313
C 4.084413 -1.679912 0.698064
C 1.965297 2.301229 -1.537161
C 2.960926 -0.033654 2.116072
C 3.772502 2.346194 0.095833
C -1.103819 -0.562322 -0.326886
C 4.616089 -2.312662 1.844097
C 2.124769 3.685247 -1.757658
C 3.491896 -0.667341 3.260253
C 3.936343 3.731863 -0.126375
C 4.320799 -1.806683 3.130561
C 3.111417 4.410219 -1.050433
C -0.363576 -3.010696 -2.900628
C -3.912992 -0.958084 -0.242406
C -5.251267 -0.494818 0.277240
C -5.929299 0.586085 -0.344498
C -5.853403 -1.129262 1.394421
C -7.183675 1.020734 0.136444
C -7.108374 -0.696097 1.877466
C -7.777127 0.380191 1.249416
H 3.264747 -0.338171 -1.303387
H 4.307760 -2.076557 -0.299909
H 1.200269 1.753866 -2.100516
H 2.308433 0.838267 2.217180
H 4.423472 1.834124 0.811477
H 5.258668 -3.193152 1.732494
H 1.480197 4.197417 -2.480938
H 3.256570 -0.271715 4.254655
H 4.709798 4.279584 0.423901
H 4.731952 -2.293914 4.022057
H 3.235824 5.485558 -1.219601
H -1.090068 -2.661252 -3.652627
H 0.593454 -3.252620 -3.383227
H -0.765999 -3.904031 -2.394469
H -3.795987 -0.808247 -1.327101
H -3.698840 -2.011446 -0.004246
H -5.469426 1.087858 -1.204407
H -5.336275 -1.962257 1.885885
H -7.696987 1.855205 -0.354053
H -7.562891 -1.196171 2.739858
H -8.750619 0.716405 1.623323


