%chk=000247784.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247784

0 1
S -6.214966 0.510747 -0.323006
O 6.226401 -0.537354 -0.457294
O -6.415593 0.214809 -1.977739
O -7.167696 -0.338795 0.341455
O -6.325027 1.946698 -0.226763
N -0.699322 -1.455198 0.474091
N 0.370852 -0.614977 0.341973
C -4.621602 -0.037245 -0.093950
C -1.998064 -0.938186 0.273032
C -4.378739 -1.377318 0.240926
C -3.541576 0.849548 -0.244003
C -3.081344 -1.839297 0.426943
C -2.236718 0.414331 -0.063042
C 2.730509 -0.175677 0.359962
C 5.078078 0.130664 -0.113324
C 3.967931 -0.727768 0.014278
C 2.606928 1.208757 0.578689
C 4.973330 1.512385 0.101041
C 3.723358 2.035272 0.447048
C 1.576361 -1.091517 0.502489
C 7.456398 0.240036 -0.632757
C 8.477273 -0.815416 -1.007726
H -5.221201 -2.070396 0.364642
H -3.730902 1.899956 -0.500604
H -2.911127 -2.880648 0.687104
H -1.397593 1.103424 -0.180286
H 4.099667 -1.791395 -0.166209
H 1.638905 1.631082 0.844590
H -0.588974 -2.449857 0.697456
H 5.827847 2.171705 0.004688
H 3.622137 3.108262 0.616520
H 1.837335 -2.135625 0.731778
H 7.289116 0.979185 -1.434726
H 7.688935 0.742175 0.321764
H 9.466191 -0.373910 -1.175205
H 8.572018 -1.576811 -0.220529
H 8.182123 -1.348602 -1.922738
H -7.085753 0.746353 -2.426567


%chk=000247784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247784

0 1
S -6.469908 0.459776 0.189515
O 6.387888 -0.639009 -0.205038
O -6.752635 0.499793 -1.654395
O -7.403081 -0.707162 0.814884
O -6.573635 1.979134 0.740498
N -0.723001 -1.372885 0.040402
N 0.325884 -0.483519 -0.026697
C -4.703858 -0.092919 0.129620
C -2.047004 -0.923959 0.067872
C -4.436662 -1.473819 0.162395
C -3.694530 0.885903 0.063618
C -3.095109 -1.888073 0.135854
C -2.354318 0.467465 0.037082
C 2.730657 -0.114095 -0.120219
C 5.181048 0.075029 -0.201058
C 4.011580 -0.719382 -0.131757
C 2.626443 1.308022 -0.179565
C 5.079511 1.487436 -0.260620
C 3.794003 2.085444 -0.248735
C 1.548370 -0.978711 -0.048118
C 7.645503 0.133782 -0.274603
C 8.787371 -0.878167 -0.261359
H -5.255013 -2.197525 0.223913
H -3.954613 1.948919 0.051130
H -2.858589 -2.958226 0.164645
H -1.536711 1.189077 -0.009581
H 4.124883 -1.808549 -0.087519
H 1.635768 1.770680 -0.170624
H -0.545695 -2.387680 0.070421
H 5.970186 2.119509 -0.315470
H 3.717195 3.177492 -0.294819
H 1.733060 -2.072050 -0.012796
H 7.653421 0.739583 -1.204152
H 7.703759 0.819684 0.595632
H 9.759004 -0.354100 -0.312456
H 8.763256 -1.481113 0.662273
H 8.712854 -1.561698 -1.124198
H -7.691785 0.815309 -1.801972


