%chk=000252799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252799

0 1
S 1.792146 -1.378965 0.398194
O 2.388716 -0.408997 1.303676
O 1.959997 -2.793073 0.683925
N 2.383545 -1.148142 -1.201266
C -1.721205 0.492567 0.621582
C 3.548320 -1.976822 -1.608204
C 2.306277 0.218492 -1.775711
C 0.106465 -1.005851 0.230349
C -2.600344 -0.433340 -0.028670
C -2.491935 1.705595 1.086877
C -3.955181 0.134767 -0.018248
C -3.903702 1.402595 0.639453
C -0.374709 0.209458 0.752941
C 4.937706 -1.490909 -1.164951
C 3.175236 1.278484 -1.079456
C -0.746675 -1.912697 -0.394363
C -2.118111 -1.632031 -0.533803
C 5.224103 -1.720513 0.323750
C 2.964917 2.663035 -1.700946
C -5.154725 -0.355880 -0.515192
C -5.049364 2.166067 0.792735
C -6.313569 0.423468 -0.356671
C -6.260743 1.661680 0.285684
C 6.702111 -1.519417 0.651066
C 3.829904 3.720177 -1.017947
H 3.528927 -2.048605 -2.720771
H 3.371138 -3.015075 -1.228946
H 1.235069 0.528853 -1.756225
H 2.582968 0.158102 -2.853726
H -2.428172 1.836105 2.185113
H -2.106980 2.639954 0.635567
H 0.306479 0.901882 1.258683
H 5.700017 -2.016362 -1.773784
H 5.059147 -0.410285 -1.401476
H 2.961143 1.308975 0.012148
H 4.247346 0.985537 -1.142538
H -0.356245 -2.861047 -0.778910
H -2.779263 -2.343714 -1.022220
H 4.611710 -1.026716 0.941832
H 4.908481 -2.740706 0.622857
H 3.198817 2.633684 -2.783388
H 1.898073 2.952522 -1.627730
H -5.201652 -1.320647 -1.015440
H -5.022005 3.131133 1.291944
H -7.262838 0.052834 -0.740446
H -7.170634 2.250746 0.399200
H 6.884651 -1.656006 1.723758
H 7.040490 -0.511096 0.389045
H 7.338004 -2.233562 0.117089
H 3.664301 4.711791 -1.452616
H 4.897717 3.491928 -1.114021
H 3.610229 3.788426 0.054496


%chk=000252799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252799

0 1
S 1.795245 -1.316707 0.545237
O 2.340714 -0.218517 1.635844
O 1.956192 -2.912070 0.843461
N 2.449975 -1.086919 -1.175917
C -1.902302 0.518099 0.685640
C 3.493038 -2.062476 -1.578265
C 2.443438 0.314414 -1.657615
C -0.029459 -0.918945 0.281153
C -2.731744 -0.401898 -0.029351
C -2.732891 1.694057 1.182277
C -4.110521 0.120308 -0.036909
C -4.130520 1.359659 0.674073
C -0.529789 0.266183 0.851764
C 4.981125 -1.759745 -1.270161
C 3.435097 1.341866 -1.047528
C -0.814213 -1.855871 -0.416905
C -2.191925 -1.589368 -0.577329
C 5.318303 -1.658550 0.234397
C 3.201992 2.750775 -1.640962
C -5.293792 -0.404721 -0.602995
C -5.330740 2.076576 0.821387
C -6.498103 0.319881 -0.452425
C -6.517663 1.549728 0.253136
C 6.829647 -1.469277 0.485150
C 4.174745 3.802567 -1.064965
H 3.357541 -2.187420 -2.672731
H 3.211901 -3.022293 -1.103805
H 1.411469 0.702220 -1.531159
H 2.610110 0.239445 -2.752434
H -2.702537 1.778949 2.286226
H -2.364342 2.659026 0.782568
H 0.138423 0.927796 1.413247
H 5.567449 -2.592356 -1.714128
H 5.309292 -0.841581 -1.796613
H 3.301352 1.368154 0.049953
H 4.479295 1.032512 -1.239587
H -0.358682 -2.769807 -0.810011
H -2.825731 -2.301745 -1.115564
H 4.759750 -0.820775 0.694341
H 4.962486 -2.574194 0.746722
H 3.308147 2.713784 -2.745318
H 2.156995 3.065588 -1.438940
H -5.285628 -1.354950 -1.148696
H -5.355646 3.027064 1.366432
H -7.426555 -0.070698 -0.883339
H -7.461026 2.096647 0.360055
H 7.048514 -1.397207 1.566012
H 7.202460 -0.544773 0.003350
H 7.412244 -2.317597 0.077415
H 3.986874 4.804906 -1.491902
H 5.225129 3.533139 -1.283626
H 4.070964 3.875514 0.033641


