%chk=000273031.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273031

0 1
S 2.403439 -0.882327 -0.939594
O -1.013837 1.776961 0.985649
O 1.802983 0.661241 -0.599641
O -3.173343 4.009603 1.067031
O 2.523193 -1.002403 -2.369207
O 1.566139 -1.800366 -0.196702
N -2.904130 -3.032074 0.010379
C -1.506076 -0.500012 0.265834
C -1.409809 -1.390022 -0.990019
C -2.790031 -2.095691 -1.155532
C -0.355965 0.527419 0.487151
C -1.679389 -1.426350 1.485501
C -2.678077 0.435818 0.094834
C -3.992017 -1.116382 -1.325032
C -2.921338 -2.321292 1.331723
C 0.406411 0.960433 -0.787413
C -3.862509 0.175420 -0.575330
C -0.946697 -0.623396 -2.187921
C -2.351236 1.707907 0.591743
C -0.095055 0.402824 -2.085994
C -4.080222 -3.941347 -0.112509
C -4.827162 1.204664 -0.591190
C -3.305793 2.728461 0.577599
C -4.563150 2.443108 -0.004886
C 3.943173 -0.716336 -0.205135
C -1.868670 4.341065 1.610748
C 4.131936 -1.107913 1.126458
C 5.015735 -0.189129 -0.935513
C 5.382208 -0.971663 1.727100
C 6.268523 -0.049831 -0.339891
C 6.460419 -0.437446 0.998305
C 7.802083 -0.300783 1.634428
H -0.629951 -2.193628 -0.799863
H -2.748246 -2.736291 -2.074876
H 0.337861 0.266042 1.307366
H -1.766529 -0.833748 2.414529
H -0.770933 -2.057504 1.587544
H -4.930855 -1.632489 -1.039696
H -4.100381 -0.878580 -2.404449
H -2.913441 -3.097422 2.127733
H -3.840270 -1.711234 1.475990
H 0.425988 2.084689 -0.820979
H -1.301862 -0.976520 -3.156542
H 0.295120 0.910277 -2.970050
H -4.040367 -4.684764 0.700592
H -4.008032 -4.499929 -1.059438
H -5.060364 -3.441489 -0.076184
H -5.785564 1.039343 -1.077620
H -5.314285 3.232283 -0.010888
H -1.108082 4.271436 0.826436
H -1.625974 3.671554 2.442959
H -2.014535 5.372564 1.947006
H 3.296810 -1.530411 1.697353
H 4.874244 0.109281 -1.980972
H 5.523378 -1.279965 2.761554
H 7.098561 0.359387 -0.913329
H 8.381693 0.537168 1.221630
H 7.740849 -0.141611 2.720361
H 8.401232 -1.212300 1.477658


%chk=000273031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273031

0 1
S 2.525000 -1.057510 -1.038246
O -0.953349 1.679318 0.979586
O 1.871328 0.689230 -0.825369
O -2.981903 4.061377 1.059346
O 2.781218 -1.393677 -2.600899
O 1.632532 -2.057782 -0.113934
N -3.137218 -2.979102 0.037955
C -1.548689 -0.546667 0.177585
C -1.514633 -1.490794 -1.047816
C -2.934190 -2.128536 -1.172386
C -0.344791 0.419591 0.358944
C -1.776624 -1.422270 1.445475
C -2.680653 0.452227 -0.004959
C -4.064766 -1.069593 -1.442941
C -3.075826 -2.243759 1.325905
C 0.378077 0.851923 -0.949267
C -3.885163 0.238082 -0.681972
C -1.009380 -0.790466 -2.283798
C -2.312335 1.688574 0.546080
C -0.137055 0.250289 -2.236322
C -4.295467 -3.883775 -0.042582
C -4.799226 1.327312 -0.701922
C -3.220968 2.769553 0.562715
C -4.478709 2.548443 -0.067932
C 4.174594 -0.730692 -0.211871
C -2.029440 4.188488 2.178874
C 4.263338 -0.870093 1.181781
C 5.258108 -0.375030 -1.029534
C 5.518921 -0.635658 1.782520
C 6.501628 -0.144998 -0.401756
C 6.650567 -0.269578 1.005162
C 7.999683 -0.046651 1.662371
H -0.823778 -2.332001 -0.830138
H -2.922570 -2.824741 -2.035347
H 0.391297 0.063143 1.094440
H -1.829383 -0.783474 2.347708
H -0.911150 -2.104377 1.550108
H -5.049563 -1.528362 -1.223757
H -4.077071 -0.842946 -2.529551
H -3.113257 -2.990383 2.142371
H -3.957233 -1.569467 1.463525
H 0.338193 1.959262 -0.999391
H -1.308491 -1.195967 -3.260957
H 0.265572 0.685417 -3.158133
H -4.242805 -4.620073 0.780655
H -4.269166 -4.438701 -0.998038
H -5.288319 -3.372077 0.031242
H -5.761164 1.229905 -1.218851
H -5.184120 3.385848 -0.074813
H -1.027200 3.822971 1.899485
H -2.392393 3.626934 3.061144
H -1.999546 5.265148 2.404884
H 3.390466 -1.165966 1.771996
H 5.134061 -0.293176 -2.113795
H 5.619453 -0.735923 2.869131
H 7.365509 0.137303 -1.013972
H 8.615533 0.670256 1.092611
H 7.891870 0.334794 2.692417
H 8.568448 -0.994823 1.721031


