%chk=000284617.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284617

0 1
S 0.931064 0.600117 0.797071
O -0.663320 -0.542890 -1.557578
O 1.025908 1.128520 -0.580671
O 1.192053 1.522172 1.883504
N 2.010459 -0.732573 0.984110
C -1.866217 0.622448 0.470870
C -1.334388 -0.562192 -0.362579
C -0.611003 -0.144766 0.937568
C -3.238650 0.087401 0.969617
C -2.436647 -1.645369 -0.303040
C -3.005123 -1.447992 1.135116
C -4.168770 0.085969 -0.284631
C -3.607309 -1.073227 -1.158710
C -1.774882 2.076785 0.152564
C 3.299270 -0.414141 1.663817
C 2.211848 -1.558637 -0.242246
C 3.217953 -0.935144 -1.224059
C 4.338935 0.221477 0.725190
C 4.552032 -0.638296 -0.528072
H -0.706090 -0.791267 1.824575
H -3.638123 0.609608 1.843245
H -2.105457 -2.651280 -0.575149
H -3.931533 -2.008882 1.312993
H -2.310839 -1.718397 1.940701
H -4.147106 1.047540 -0.818385
H -5.214200 -0.094979 0.004293
H -4.366995 -1.842948 -1.353561
H -3.248985 -0.716023 -2.137884
H -2.707031 2.458419 -0.286450
H -1.572916 2.672815 1.055875
H -0.972640 2.307106 -0.570672
H -0.088479 0.304461 -1.671874
H 3.695232 -1.366891 2.083115
H 3.096635 0.256716 2.532008
H 1.229675 -1.722191 -0.745371
H 2.568532 -2.560455 0.088520
H 2.793905 0.004536 -1.644318
H 3.372122 -1.609953 -2.084715
H 5.294329 0.356435 1.264880
H 4.015241 1.240405 0.431177
H 5.054813 -1.585495 -0.254456
H 5.233497 -0.119039 -1.228187


%chk=000284617-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284617

0 1
S 0.974521 0.680366 0.613298
O -0.928984 -0.381771 -1.775138
O 1.050005 1.230594 -0.959627
O 1.255997 1.756204 1.801350
N 2.105536 -0.826711 0.942818
C -1.966826 0.633017 0.455540
C -1.477319 -0.512304 -0.475070
C -0.683645 -0.169059 0.818929
C -3.285929 0.049409 1.046362
C -2.546617 -1.612952 -0.351567
C -3.024473 -1.486447 1.122573
C -4.321571 0.078087 -0.132052
C -3.789037 -1.039274 -1.112119
C -1.896470 2.123869 0.162869
C 3.332622 -0.398097 1.682382
C 2.368055 -1.580993 -0.327247
C 3.490197 -1.000454 -1.220329
C 4.449041 0.202264 0.799145
C 4.769301 -0.725984 -0.395325
H -0.569939 -0.817069 1.691478
H -3.628887 0.536938 1.973386
H -2.209061 -2.603527 -0.690689
H -3.956251 -2.050695 1.300747
H -2.290877 -1.799432 1.882244
H -4.387061 1.064629 -0.620599
H -5.329556 -0.167053 0.249094
H -4.543837 -1.829452 -1.273240
H -3.496352 -0.637123 -2.095336
H -2.818859 2.461156 -0.340545
H -1.787864 2.697920 1.100897
H -1.045531 2.383618 -0.490426
H -0.192004 0.316437 -1.750226
H 3.689087 -1.321486 2.184113
H 3.016224 0.311387 2.467063
H 1.418146 -1.669712 -0.886295
H 2.642083 -2.600673 0.014619
H 3.132289 -0.062728 -1.683979
H 3.696321 -1.718163 -2.037422
H 5.348719 0.365638 1.422611
H 4.125150 1.194792 0.429442
H 5.184555 -1.684409 -0.018183
H 5.545902 -0.270855 -1.037344


