%chk=000228713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228713

0 1
O 0.671255 -1.121163 -0.545209
O 3.342670 0.394707 -0.520346
O 3.630016 1.086096 1.607266
C -4.985287 -0.844786 0.095101
C -3.459922 -0.905889 0.004040
C -5.568588 -2.171953 -0.433498
C -5.481044 -0.637206 1.539650
C -5.487489 0.333023 -0.765991
C -2.629353 -0.780098 1.120602
C -2.861707 -1.096451 -1.261023
C -0.675217 -1.030103 -0.258877
C -1.233041 -0.840626 1.006847
C -1.483191 -1.160056 -1.408350
C 3.009534 -0.964863 -0.066124
C 1.606563 -0.969499 0.560073
C 3.133288 -1.791947 -1.329880
C 4.000448 2.624285 -0.277848
C 3.767517 3.837874 0.630713
C 3.653251 1.345209 0.425229
C 4.216605 5.130253 -0.041468
H -5.175653 -3.025849 0.128894
H -5.323758 -2.335881 -1.487226
H -6.659246 -2.190331 -0.346452
H -6.575161 -0.597447 1.576455
H -5.167429 -1.455136 2.196378
H -5.111536 0.302445 1.963023
H -5.036881 1.277322 -0.441714
H -5.240625 0.201263 -1.823755
H -6.574074 0.442293 -0.696700
H -3.051908 -0.630801 2.114563
H -3.493296 -1.195744 -2.145067
H -0.619336 -0.738333 1.894535
H -1.015498 -1.304169 -2.378444
H 3.763156 -1.241083 0.708986
H 1.399056 -0.022206 1.091774
H 1.473360 -1.828387 1.241639
H 2.383451 -1.477281 -2.076125
H 2.961247 -2.855874 -1.130056
H 4.120424 -1.673494 -1.792347
H 3.414499 2.715860 -1.219229
H 5.062779 2.576743 -0.603854
H 2.694142 3.902635 0.901771
H 4.308892 3.694682 1.589948
H 4.035214 5.994308 0.609767
H 5.287811 5.119013 -0.274152
H 3.677860 5.311447 -0.979019


%chk=000228713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228713

0 1
O 0.702505 -0.952598 -0.582076
O 3.374596 0.370361 -0.528420
O 3.640466 1.243066 1.619934
C -5.069759 -0.874553 0.105136
C -3.527764 -0.901165 -0.014959
C -5.672598 -2.092816 -0.657994
C -5.546452 -0.941839 1.578758
C -5.615800 0.443730 -0.522818
C -2.665833 -0.972366 1.104739
C -2.913482 -0.848592 -1.300298
C -0.678861 -0.938318 -0.318972
C -1.256356 -0.991554 0.970224
C -1.517700 -0.866596 -1.458533
C 3.051250 -0.973874 0.060743
C 1.605851 -0.995141 0.571354
C 3.347732 -1.994051 -1.037914
C 4.028821 2.673696 -0.366868
C 3.806000 3.947779 0.476207
C 3.666344 1.398868 0.375088
C 4.304588 5.213504 -0.251000
H -5.305700 -3.044404 -0.231532
H -5.403428 -2.076496 -1.729402
H -6.776898 -2.082217 -0.585916
H -6.651274 -0.920169 1.612628
H -5.214238 -1.873250 2.073720
H -5.176570 -0.082390 2.168154
H -5.215666 1.326459 0.008900
H -5.335590 0.535021 -1.587534
H -6.720221 0.470141 -0.458741
H -3.083278 -1.013559 2.115250
H -3.536276 -0.790060 -2.200683
H -0.635916 -1.044957 1.869967
H -1.055559 -0.823252 -2.449812
H 3.706966 -1.112342 0.942504
H 1.425539 -0.132295 1.240567
H 1.443828 -1.932026 1.146481
H 2.701663 -1.813842 -1.911160
H 3.154781 -3.016927 -0.666542
H 4.403849 -1.926757 -1.348120
H 3.460236 2.705552 -1.313637
H 5.098523 2.598354 -0.653585
H 2.728572 4.047270 0.709802
H 4.323029 3.832236 1.446403
H 4.132328 6.116542 0.362039
H 5.389196 5.151627 -0.461785
H 3.782356 5.357000 -1.215799


