%chk=000292008.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292008

0 1
S 6.849420 0.210678 0.157157
O 6.739934 1.707308 0.931962
O 0.560541 -1.992372 -0.909862
O 7.478462 -0.647405 1.124887
O 7.463601 0.467328 -1.114131
N -1.186337 -0.044215 0.010406
N 0.179767 0.087841 0.076637
C -7.713568 -1.084654 -0.506328
C -6.252523 -1.553410 -0.726783
C -7.656002 0.312948 0.162789
C -5.396259 -0.440840 -0.192165
C -6.193109 0.617871 0.312453
C -4.013224 -0.370016 -0.154766
C -5.600527 1.749357 0.855422
C -3.408076 0.781000 0.397577
C -4.199531 1.826961 0.896101
C -1.939055 0.919561 0.467528
C 2.451344 -0.653657 -0.268775
C 5.169658 -0.129592 -0.010914
C 3.132557 -1.096126 0.870364
C 3.117632 0.040798 -1.284052
C 4.500032 -0.832270 0.996377
C 4.485482 0.300909 -1.152430
C 0.982106 -0.974040 -0.425509
H -8.260197 -1.799213 0.129915
H -8.255900 -1.036118 -1.464314
H -6.044754 -1.740078 -1.795950
H -6.048952 -2.503505 -0.200465
H -8.167620 0.311764 1.141933
H -8.163584 1.075833 -0.454334
H -3.393932 -1.181770 -0.541632
H -6.203693 2.565571 1.244475
H -3.733283 2.713393 1.321476
H -1.580194 1.858870 0.915973
H 2.606300 -1.652806 1.648179
H 2.580297 0.366127 -2.176834
H 5.042980 -1.184000 1.882514
H 5.017053 0.836461 -1.949018
H 0.623225 0.923959 0.476259
H 7.543129 2.035650 1.358580


%chk=000292008-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292008

0 1
S 7.038139 0.326143 -0.092764
O 7.081628 1.169634 1.563011
O 0.662177 -2.215070 0.074572
O 7.896808 -1.040997 0.002656
O 7.353116 1.422048 -1.240067
N -1.235313 -0.139236 0.052432
N 0.133599 0.076486 0.076712
C -7.800230 -1.112274 -0.520083
C -6.424337 -1.734207 -0.123529
C -7.777776 0.329640 0.078878
C -5.513459 -0.518205 -0.007945
C -6.294304 0.669205 0.107896
C -4.113402 -0.461149 0.011724
C -5.666604 1.923305 0.243218
C -3.468928 0.806307 0.142822
C -4.254915 1.987608 0.257736
C -2.008487 0.922923 0.162867
C 2.482284 -0.612514 0.005120
C 5.203347 -0.049742 -0.044790
C 3.412379 -1.547675 0.528478
C 2.948223 0.597839 -0.574465
C 4.793669 -1.269883 0.517107
C 4.328062 0.893801 -0.602560
C 1.023116 -1.008088 0.045851
H -8.657155 -1.708812 -0.162896
H -7.868787 -1.048563 -1.621977
H -6.062458 -2.478789 -0.854321
H -6.494763 -2.250173 0.855690
H -8.187703 0.331062 1.110016
H -8.378046 1.048645 -0.507062
H -3.493483 -1.359625 -0.075663
H -6.260029 2.840484 0.330555
H -3.754043 2.959409 0.355118
H -1.594036 1.947290 0.276203
H 3.030394 -2.490269 0.931957
H 2.252492 1.300436 -1.046738
H 5.527410 -1.978265 0.913512
H 4.712788 1.809647 -1.061562
H 0.509669 1.029783 0.195313
H 8.032158 1.425945 1.747679


