%chk=000244699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244699

0 1
S -0.378649 1.518737 -0.341548
O 0.837025 -0.993534 -1.930493
O 0.282071 2.282255 -1.375499
O -0.880880 2.183041 0.836951
N -1.666070 0.722483 -1.154028
C 2.724153 -0.703397 1.053715
C 2.853854 -0.637307 -0.521454
C 1.812782 0.591377 1.109835
C 0.630803 0.182733 0.184406
C 3.359035 0.818013 -0.764500
C 2.693581 1.634884 0.372879
C 1.364988 -0.568112 -0.941675
C 4.046036 -0.549970 1.802575
C 2.039511 -1.972743 1.564200
C 3.639134 -1.721750 -1.208407
C -2.763730 0.060250 -0.545821
C -3.557413 -0.792941 -1.345987
C -3.062341 0.225978 0.819950
C -4.627973 -1.474129 -0.770183
C -4.138486 -0.469863 1.372720
C -4.920909 -1.323780 0.589955
H 1.493042 0.897932 2.113965
H -0.007052 -0.560721 0.732288
H 3.070732 1.194465 -1.761130
H 4.457323 0.866673 -0.722947
H 3.441505 2.067502 1.057699
H 2.131005 2.497981 -0.024005
H 4.690235 -1.423882 1.646291
H 4.624205 0.325924 1.489024
H 3.878043 -0.453562 2.881885
H 1.142709 -2.252428 1.002730
H 2.717897 -2.834020 1.508666
H 1.742952 -1.863604 2.614493
H 4.693826 -1.708189 -0.907635
H 3.243513 -2.719679 -0.978541
H 3.603785 -1.609911 -2.302099
H -1.624245 0.654359 -2.182702
H -3.336470 -0.921043 -2.402376
H -2.499959 0.925381 1.445529
H -5.240888 -2.131260 -1.387275
H -4.372157 -0.336926 2.429524
H -5.755425 -1.860615 1.031621


%chk=000244699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244699

0 1
S -0.412670 1.876980 -0.286526
O 0.595020 -0.752014 -1.967104
O 0.450510 2.753765 -1.344361
O -1.013596 2.553797 1.059070
N -1.890303 1.120661 -1.324265
C 2.625041 -0.827177 0.981011
C 2.702560 -0.635922 -0.595162
C 1.825857 0.530157 1.216680
C 0.615742 0.278905 0.297261
C 3.287644 0.833021 -0.718327
C 2.762677 1.582913 0.552248
C 1.218022 -0.432474 -0.921777
C 4.003885 -0.847815 1.677787
C 1.855631 -2.100627 1.415298
C 3.405713 -1.688456 -1.445646
C -2.736720 0.237490 -0.594898
C -2.782195 -1.155563 -0.898457
C -3.586596 0.771449 0.415747
C -3.702687 -1.989724 -0.230462
C -4.475987 -0.081323 1.099172
C -4.546066 -1.459288 0.775440
H 1.551571 0.739756 2.261518
H -0.211695 -0.285953 0.759859
H 2.957759 1.324574 -1.649484
H 4.390220 0.770638 -0.746122
H 3.578956 1.847876 1.244008
H 2.237961 2.514644 0.289505
H 4.534066 -1.788713 1.440424
H 4.659553 -0.012347 1.385836
H 3.875366 -0.808498 2.775853
H 0.890091 -2.238037 0.896153
H 2.463665 -3.001015 1.212439
H 1.652112 -2.076180 2.501980
H 4.479243 -1.748304 -1.191071
H 2.957694 -2.688999 -1.306804
H 3.320115 -1.439571 -2.518229
H -1.369872 0.642838 -2.089662
H -2.110378 -1.562382 -1.664194
H -3.539979 1.840943 0.638960
H -3.755333 -3.053735 -0.486510
H -5.128147 0.331845 1.876283
H -5.253352 -2.111532 1.299124


