%chk=000262086.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262086

0 1
S 1.258645 -2.592324 -0.545192
O -0.717157 1.350353 0.315916
O -5.076128 -0.641787 0.007613
O 6.900408 -0.190691 -0.347218
O -5.397756 1.570601 0.497379
C 1.288070 0.043979 -0.009222
C 0.668850 1.226386 0.246561
C -0.919415 -1.036808 -0.177823
C -1.491779 0.221442 0.098363
C 0.523679 -1.171076 -0.239831
C 1.257203 2.574830 0.510919
C 2.763085 -0.033932 -0.056398
C -1.806752 -2.124232 -0.382856
C -2.874098 0.446320 0.180455
C -3.692580 -0.657421 -0.029098
C 3.428311 0.015088 -1.298252
C 3.497541 -0.163655 1.128087
C 1.772468 3.215557 -0.774874
C -3.177517 -1.946028 -0.311168
C 4.814659 -0.039299 -1.352834
C 4.895355 -0.221709 1.096165
C 5.536445 -0.158374 -0.145617
C -5.868067 0.491806 0.278173
C -7.291178 0.010964 0.238445
C -8.177443 1.024610 -0.471042
C 7.749606 -0.380681 0.809148
H 0.496110 3.234747 0.987402
H 2.085534 2.475624 1.248871
H -1.391403 -3.116671 -0.600580
H -3.264720 1.444220 0.397145
H 2.848122 0.083984 -2.218881
H 2.979840 -0.231028 2.084509
H 2.189400 4.210637 -0.577152
H 0.973992 3.334060 -1.518074
H 2.568182 2.612589 -1.235206
H -3.868650 -2.772648 -0.467027
H 5.352794 -0.007957 -2.297131
H 5.452222 -0.326618 2.020128
H -7.635389 -0.152646 1.285226
H -7.355412 -0.986431 -0.254495
H -8.091336 2.025326 -0.022211
H -9.233248 0.729314 -0.416927
H -7.918872 1.121901 -1.533851
H 8.748604 -0.393811 0.354210
H 7.527331 -1.336977 1.291697
H 7.644144 0.460065 1.500148


%chk=000262086-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262086

0 1
S 1.327857 -2.821536 -0.641072
O -0.638876 1.276897 0.140336
O -5.108574 -0.679653 -0.188761
O 7.118239 -0.357088 -0.103383
O -5.433465 1.621371 0.221616
C 1.382219 -0.078029 -0.109829
C 0.757483 1.145376 0.108853
C -0.871883 -1.125278 -0.317398
C -1.447126 0.149243 -0.068265
C 0.593777 -1.292739 -0.351382
C 1.400140 2.497138 0.287331
C 2.879042 -0.143097 -0.082191
C -1.780355 -2.205449 -0.517812
C -2.836948 0.388136 -0.009165
C -3.687762 -0.713889 -0.212273
C 3.624489 -0.357162 -1.273120
C 3.584527 -0.006538 1.135927
C 1.146428 3.429339 -0.929464
C -3.163437 -2.011974 -0.467104
C 5.027577 -0.415842 -1.247612
C 4.996376 -0.071907 1.182993
C 5.719615 -0.275466 -0.017393
C -5.898041 0.482327 0.028519
C -7.362255 0.084003 -0.016280
C -8.311082 1.278916 0.178650
C 7.878970 -0.259815 1.144107
H 0.982784 2.969809 1.197485
H 2.481830 2.364577 0.440947
H -1.348770 -3.192909 -0.710918
H -3.214509 1.391297 0.185052
H 3.096752 -0.489087 -2.223171
H 3.024783 0.134273 2.068167
H 1.604075 4.417910 -0.748814
H 0.065549 3.572766 -1.098421
H 1.591451 3.007488 -1.848047
H -3.862233 -2.839077 -0.619062
H 5.608016 -0.580126 -2.160349
H 5.507805 0.028435 2.144879
H -7.523436 -0.689586 0.759433
H -7.544747 -0.425156 -0.982036
H -8.134901 1.772711 1.149385
H -9.360842 0.939377 0.144667
H -8.163905 2.036874 -0.609528
H 8.932751 -0.364471 0.847016
H 7.606330 -1.072084 1.845816
H 7.725980 0.721294 1.635273


