%chk=000267915.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267915

0 1
S 0.145531 1.072804 -0.005088
O 0.091231 1.782166 1.248150
O 0.094227 1.770941 -1.264738
O 3.092728 2.166308 -0.006353
O 5.085117 -1.985430 0.014216
N 1.648239 -1.123396 0.006364
N 4.135301 0.143413 0.003772
N 2.779371 -1.833592 0.010820
C -2.469013 0.439715 -0.003977
C -3.568337 -0.632560 0.001064
C -1.072984 -0.191346 -0.000929
C -4.963448 0.006525 -0.003200
C -6.068771 -1.058902 0.000560
C 1.705443 0.177998 0.000732
C -7.458730 -0.427094 -0.001276
C 2.946344 0.974699 -0.001273
C 4.117401 -1.263072 0.009902
H -2.592123 1.099808 0.882234
H -2.591952 1.091379 -0.896416
H -3.457082 -1.285278 0.888439
H -3.455987 -1.294791 -0.879098
H -0.974243 -0.863852 0.877216
H -0.973372 -0.870334 -0.873976
H -5.078481 0.661692 -0.888730
H -5.080134 0.669730 0.876111
H -5.958519 -1.719998 -0.881342
H -5.958224 -1.714170 0.886765
H -7.616688 0.201029 -0.885631
H -8.242338 -1.193183 0.000090
H -7.617279 0.204809 0.880276
H 5.056197 0.609416 0.002819
H 2.681277 -2.861534 0.015197


%chk=000267915-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267915

0 1
S 0.186258 1.168759 -0.004888
O 0.075150 1.959687 1.417240
O 0.078136 1.951683 -1.431664
O 3.246749 2.209975 0.005427
O 5.278912 -2.038069 0.012879
N 1.775239 -1.120717 -0.000993
N 4.266893 0.094939 0.008217
N 2.943899 -1.848033 0.003386
C -2.525865 0.405670 -0.005595
C -3.650515 -0.662630 0.002221
C -1.149383 -0.256682 -0.001920
C -5.057465 -0.021455 -0.004772
C -6.196850 -1.065505 0.005679
C 1.869072 0.185973 -0.000779
C -7.599246 -0.419824 -0.002562
C 3.133176 0.965451 0.000818
C 4.258961 -1.313921 0.010472
H -2.628463 1.058542 0.882498
H -2.629279 1.046900 -0.901985
H -3.546276 -1.308826 0.897986
H -3.544597 -1.324211 -0.882058
H -0.923973 -0.829941 0.910890
H -0.921956 -0.836207 -0.910241
H -5.161672 0.626035 -0.899603
H -5.162149 0.644452 0.876393
H -6.091067 -1.731853 -0.874792
H -6.092489 -1.712422 0.900665
H -7.742266 0.207823 -0.902109
H -8.396392 -1.185534 0.004570
H -7.744242 0.226491 0.883337
H 5.191355 0.541499 0.011750
H 2.841046 -2.864150 0.002229


