%chk=000279690.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279690

0 1
S -0.790115 -1.704824 -0.616643
O -0.689036 -2.220989 -1.968540
O -0.548632 -2.582827 0.501912
O -0.611998 0.382068 1.562863
N -2.344925 -0.957519 -0.474507
C -3.014094 -1.104548 0.858776
C -3.356937 -1.363442 -1.501810
C -4.118103 -2.169603 0.701570
C -4.360831 -2.312371 -0.812754
C 0.280753 -0.266250 -0.553306
C 1.695875 -0.711598 -0.315169
C -0.144745 0.738827 0.506440
C 0.031988 2.178269 0.148307
C 2.653538 -0.562729 -1.330499
C 2.066425 -1.267944 0.919739
C 3.973925 -0.961926 -1.105344
C 3.388162 -1.662245 1.136701
C 1.248905 2.656359 -0.355479
C -1.041881 3.056974 0.353060
C 4.344677 -1.507109 0.127682
C 1.386867 4.012804 -0.661432
C -0.901518 4.410509 0.035383
C 0.311961 4.888117 -0.470746
H -3.445845 -0.114453 1.121446
H -2.287962 -1.360733 1.662031
H -3.862041 -0.435464 -1.847666
H -2.883796 -1.829032 -2.393578
H -3.798715 -3.132136 1.140581
H -5.035994 -1.873788 1.234026
H -5.397871 -2.053423 -1.080872
H -4.206577 -3.355886 -1.138667
H 0.214016 0.234879 -1.560498
H 2.371165 -0.154233 -2.299471
H 1.312591 -1.416273 1.701480
H 4.713964 -0.852142 -1.896806
H 3.670331 -2.098496 2.094693
H 2.090400 1.975426 -0.497945
H -1.981098 2.679868 0.761972
H 5.373720 -1.817532 0.299734
H 2.333597 4.388445 -1.047316
H -1.735935 5.093640 0.188195
H 0.421590 5.944829 -0.713943


%chk=000279690-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279690

0 1
S -0.656797 -1.692585 -0.625102
O -0.549211 -2.199688 -2.177584
O -0.520324 -2.776979 0.584040
O -0.116249 0.446266 1.723358
N -2.290739 -0.574050 -0.461284
C -3.014756 -1.000812 0.786392
C -3.208272 -0.886602 -1.616565
C -3.943628 -2.162064 0.363986
C -4.382342 -1.763126 -1.073728
C 0.760108 -0.188364 -0.442250
C 2.056081 -0.835815 -0.086801
C 0.154234 0.809845 0.537056
C -0.078730 2.222487 0.092516
C 2.981853 -1.120993 -1.129949
C 2.375592 -1.204437 1.249880
C 4.215075 -1.738548 -0.841217
C 3.611388 -1.821534 1.531520
C 0.299381 2.725031 -1.182635
C -0.695989 3.103704 1.024515
C 4.534587 -2.087330 0.492590
C 0.056765 4.074405 -1.518247
C -0.940765 4.447524 0.687495
C -0.565411 4.937847 -0.587593
H -3.592417 -0.111867 1.111166
H -2.296209 -1.258590 1.580921
H -3.557103 0.084477 -2.013479
H -2.628829 -1.387314 -2.416357
H -3.363273 -3.102426 0.357285
H -4.799116 -2.288995 1.049301
H -5.315705 -1.172202 -1.039631
H -4.563288 -2.646895 -1.708037
H 0.719909 0.132317 -1.491778
H 2.726835 -0.863732 -2.164911
H 1.650860 -1.013438 2.046126
H 4.921604 -1.953092 -1.650152
H 3.852182 -2.106158 2.561473
H 0.789528 2.080649 -1.919387
H -0.972314 2.702366 2.004928
H 5.492287 -2.569571 0.718433
H 0.353382 4.452421 -2.502444
H -1.420293 5.115010 1.411563
H -0.754090 5.984357 -0.851813


