%chk=000211380.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211380

0 1
S -3.637313 -1.235651 2.026624
P -4.155502 -0.564136 0.327603
O -3.154836 -0.930172 -0.947848
O -5.569022 -1.084690 -0.302753
O -4.309673 1.052961 0.140735
O 4.355043 0.625867 -0.104000
O 5.078958 -1.462450 0.667323
N 3.029178 0.168164 -0.019025
N 6.280061 0.515774 1.057375
C -1.830960 -0.494855 -0.843301
C 0.830205 0.257084 -0.898692
C -0.852346 -1.478018 -0.655863
C -1.518828 0.856757 -1.044312
C 0.487662 -1.089329 -0.682694
C -0.174494 1.225259 -1.069234
C 2.260689 0.661227 -0.950512
C -5.788737 -2.537525 -0.309106
C -4.880758 1.798878 1.269838
C 2.682177 1.586678 -2.048200
C -7.197669 -2.657290 -0.855613
C -4.749501 3.238992 0.814080
C 7.597140 -0.123230 1.316319
C 8.510825 -0.098879 0.094874
C 5.236592 -0.275600 0.569806
H -1.138447 -2.515607 -0.488527
H -2.311847 1.595354 -1.177855
H 1.274593 -1.833317 -0.525211
H 0.093195 2.271278 -1.218485
H -5.704491 -2.934984 0.721388
H -5.039690 -3.003039 -0.978125
H -4.299010 1.597364 2.191135
H -5.937282 1.493994 1.392784
H 2.120445 1.408844 -2.975626
H 3.752878 1.468610 -2.282438
H 2.532695 2.637362 -1.760299
H -7.486700 -3.705266 -0.994071
H -7.288253 -2.145842 -1.825467
H -7.928589 -2.184932 -0.185129
H -3.696129 3.534921 0.718318
H -5.234488 3.926774 1.516501
H -5.208176 3.382133 -0.175536
H 7.426208 -1.174288 1.655311
H 8.061751 0.421622 2.170256
H 6.301909 1.500764 0.792525
H 8.080069 -0.659206 -0.745662
H 8.711761 0.919078 -0.256950
H 9.479906 -0.561135 0.322438


%chk=000211380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211380

0 1
S -4.153697 -0.388592 2.367386
P -4.356801 -0.298136 0.319138
O -3.005394 -0.785619 -0.673443
O -5.579479 -1.263009 -0.410025
O -4.715213 1.230840 -0.393309
O 4.669370 0.511316 0.122436
O 5.391726 -1.783027 0.139200
N 3.304802 -0.008842 -0.022497
N 6.868340 0.038335 0.344253
C -1.683020 -0.308551 -0.466846
C 1.005893 0.532158 -0.207560
C -0.656141 -1.275682 -0.381027
C -1.391156 1.070816 -0.427733
C 0.678251 -0.855350 -0.258467
C -0.048893 1.481019 -0.293895
C 2.422814 0.977444 -0.064464
C -5.695694 -2.701206 -0.011779
C -5.855209 2.017703 0.177582
C 2.744885 2.455050 0.021660
C -7.026465 -3.191156 -0.572914
C -5.826650 3.372362 -0.521895
C 8.114204 -0.742893 0.408171
C 8.932618 -0.681924 -0.899067
C 5.639418 -0.564851 0.195090
H -0.916971 -2.337551 -0.412765
H -2.202521 1.800644 -0.512557
H 1.487031 -1.588564 -0.191203
H 0.168494 2.553143 -0.263664
H -5.655930 -2.773899 1.092474
H -4.838518 -3.247027 -0.447071
H -5.713541 2.108608 1.271745
H -6.791478 1.466836 -0.027800
H 2.417010 2.975782 -0.896814
H 3.823976 2.614848 0.150071
H 2.213449 2.916689 0.873653
H -7.158786 -4.262339 -0.332795
H -7.054209 -3.073292 -1.669193
H -7.867912 -2.627245 -0.136202
H -4.880002 3.900684 -0.316972
H -6.662247 3.997197 -0.155834
H -5.933112 3.250358 -1.612829
H 7.824236 -1.784608 0.626394
H 8.721361 -0.377628 1.258384
H 6.903454 1.058377 0.343298
H 8.346890 -1.086248 -1.742639
H 9.226452 0.355324 -1.144883
H 9.855565 -1.281999 -0.798094


