%chk=000104135.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104135

0 1
S 3.786451 -2.528364 -1.721700
O -6.955980 -1.007554 -2.889076
O -7.606374 -1.672443 -0.824027
O 6.549376 3.164078 1.664715
O 4.393265 3.109842 1.807822
N -4.244559 0.491466 0.785471
N 1.277812 -0.192938 -0.026383
N 1.768761 -1.155524 -0.686742
N 5.420164 -2.086833 -1.575491
N 5.464585 2.655731 1.431389
C -5.260322 -0.486584 0.331771
C -4.751322 1.610994 1.625843
C -2.885759 0.272503 0.595816
C -5.690737 -0.172628 -1.112434
C -4.784798 1.244608 3.107197
C -2.425260 -0.849187 -0.155242
C -1.923802 1.187352 1.116851
C -1.074221 -1.035476 -0.378873
C -0.575120 0.995769 0.886634
C -0.123502 -0.118660 0.132921
C -6.849574 -1.035785 -1.517878
C 4.238646 -0.396061 -0.405262
C 5.515740 -0.957515 -0.866539
C 3.170256 -1.189963 -0.821520
C 4.238071 0.808415 0.359417
C 5.438408 1.410814 0.643297
C 6.748536 -0.274822 -0.534357
C 6.704487 0.868436 0.195087
C -8.048595 -1.764033 -3.478793
H -4.866148 -1.528513 0.397237
H -6.148416 -0.459367 1.008135
H -4.110494 2.510165 1.462914
H -5.769949 1.888335 1.270270
H -5.974921 0.898366 -1.219200
H -4.840209 -0.297441 -1.820464
H -5.132713 2.088874 3.714951
H -3.791608 0.960068 3.480662
H -5.453759 0.399156 3.309364
H -3.133702 -1.571491 -0.554387
H -2.247210 2.047555 1.700428
H -0.726648 -1.897853 -0.955928
H 0.158714 1.703041 1.286253
H 3.282233 1.228649 0.704744
H 7.682977 -0.712696 -0.889035
H 7.613545 1.416737 0.468599
H -7.808202 -1.735828 -4.547192
H -8.992357 -1.256630 -3.257635
H -8.055068 -2.786363 -3.086331


%chk=000104135-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104135

0 1
S 3.728953 -2.427255 -2.069795
O -6.896774 -1.242137 -2.906327
O -7.723428 -1.507424 -0.743688
O 6.638530 2.939307 1.994119
O 4.359509 2.897787 2.118677
N -4.243945 0.515372 0.814476
N 1.320946 -0.054702 -0.047754
N 1.744144 -1.050820 -0.836806
N 5.453642 -1.986122 -1.845862
N 5.486226 2.439741 1.675345
C -5.240569 -0.454795 0.318715
C -4.778299 1.654689 1.599629
C -2.882294 0.351047 0.592583
C -5.688492 -0.161345 -1.136559
C -4.811031 1.385385 3.121037
C -2.385667 -0.720314 -0.237690
C -1.915308 1.241632 1.177087
C -1.022350 -0.886411 -0.468771
C -0.550799 1.071377 0.938911
C -0.067464 0.009657 0.113878
C -6.868963 -1.035574 -1.530200
C 4.226195 -0.379915 -0.481730
C 5.489467 -0.910502 -0.993957
C 3.110151 -1.117335 -0.988035
C 4.230427 0.733248 0.405166
C 5.466105 1.285199 0.755852
C 6.734656 -0.302883 -0.600712
C 6.720888 0.782373 0.263895
C -8.037544 -2.046608 -3.418881
H -4.847619 -1.483199 0.399160
H -6.127544 -0.414447 0.973866
H -4.189064 2.561669 1.376698
H -5.804102 1.854095 1.238455
H -6.010560 0.896184 -1.214853
H -4.867652 -0.293482 -1.860476
H -5.234057 2.256657 3.653094
H -3.798717 1.195414 3.517204
H -5.438182 0.506098 3.352739
H -3.083399 -1.417456 -0.709219
H -2.234847 2.057527 1.829442
H -0.655397 -1.698881 -1.102996
H 0.183712 1.748099 1.387957
H 3.296735 1.138420 0.795465
H 7.667465 -0.714516 -0.995437
H 7.642008 1.273055 0.587440
H -7.885510 -2.083643 -4.506025
H -8.992265 -1.557184 -3.164479
H -8.017219 -3.056678 -2.977338


