%chk=000268712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268712

0 1
S -4.309189 -1.236179 -1.704577
P -3.176958 -0.474507 -0.357709
O -3.340445 -1.082619 1.158603
O -3.445945 1.117712 -0.038215
N -0.744113 -0.011140 0.089756
N -1.522923 -0.570566 -0.897188
C 3.373098 0.649493 -0.197155
C 4.847282 0.128558 -0.145074
C 2.612531 0.392846 1.119923
C 2.574820 0.032445 -1.364162
C 1.197330 0.984667 1.077052
C 1.159502 0.622942 -1.448689
C 5.598459 0.833047 1.004188
C 4.903607 -1.393497 0.072863
C 5.560723 0.477596 -1.468241
C 0.441685 0.479397 -0.129795
C -2.624673 -2.295391 1.527004
C -4.780598 1.434692 0.481776
C -3.178773 -3.522717 0.832343
C -4.699645 2.929623 0.727130
H 3.422372 1.754915 -0.357984
H 3.165298 0.827774 1.974304
H 2.553062 -0.695827 1.315394
H 2.510529 -1.066246 -1.238018
H 3.101543 0.201903 -2.322536
H 1.238464 2.092644 1.032498
H 0.656033 0.742372 2.016256
H 0.608107 0.137855 -2.277408
H 1.211060 1.700631 -1.712215
H 5.168352 0.588727 1.981014
H 6.650856 0.531669 1.031712
H 5.574814 1.921541 0.894536
H 4.403049 -1.936816 -0.735012
H 4.422891 -1.685311 1.012184
H 5.937954 -1.750837 0.112359
H 5.536955 1.553143 -1.668235
H 6.612875 0.175127 -1.441375
H 5.102518 -0.029320 -2.323705
H -1.300625 -0.409244 -1.904120
H -1.538948 -2.157169 1.364686
H -2.833239 -2.306271 2.618378
H -5.539232 1.178055 -0.283883
H -4.951087 0.866491 1.416630
H -2.917590 -4.437522 1.376944
H -4.277253 -3.486693 0.763239
H -2.806726 -3.642398 -0.194937
H -5.638078 3.320629 1.134576
H -3.890367 3.169760 1.430903
H -4.476062 3.470618 -0.202817


%chk=000268712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268712

0 1
S -3.831612 -1.256657 -2.210407
P -2.988454 -0.328321 -0.557067
O -2.976889 -1.231988 0.924427
O -3.666232 1.133626 0.052656
N -0.546076 0.660609 0.100366
N -1.357297 0.126958 -0.903751
C 3.648084 0.724419 -0.224820
C 5.053255 0.014015 -0.100796
C 2.845479 0.772586 1.105062
C 2.747917 0.125484 -1.340618
C 1.519776 1.568541 0.951944
C 1.416188 0.914654 -1.516824
C 5.897755 0.713890 1.001913
C 4.920166 -1.492754 0.252440
C 5.829434 0.148387 -1.442703
C 0.685441 1.022686 -0.187969
C -2.755853 -2.707387 0.866332
C -5.063324 1.086037 0.580607
C -4.045730 -3.436478 1.244459
C -5.396246 2.510955 1.012114
H 3.867434 1.779799 -0.511741
H 3.445677 1.241046 1.905918
H 2.604145 -0.257188 1.435369
H 2.503566 -0.926687 -1.095057
H 3.280873 0.120336 -2.308501
H 1.767716 2.632034 0.747853
H 0.926413 1.535140 1.881571
H 0.812963 0.433291 -2.310338
H 1.652277 1.937901 -1.875522
H 5.482918 0.546285 2.011671
H 6.930937 0.318552 0.999746
H 5.952884 1.806230 0.830010
H 4.390829 -2.055285 -0.538192
H 4.377644 -1.643721 1.203381
H 5.923532 -1.945089 0.365160
H 5.905518 1.208047 -1.755027
H 6.857380 -0.245035 -1.331352
H 5.349029 -0.416422 -2.261902
H -1.068846 0.053720 -1.888647
H -2.416703 -3.000920 -0.146334
H -1.946287 -2.897043 1.592100
H -5.736382 0.728637 -0.223396
H -5.095623 0.377738 1.428769
H -3.856732 -4.524742 1.313778
H -4.415901 -3.086800 2.223844
H -4.827448 -3.266572 0.484421
H -6.423430 2.548699 1.420141
H -4.694936 2.851956 1.792198
H -5.331926 3.203433 0.155913


