%chk=000260298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260298

0 1
S -4.970903 -1.285431 0.517479
O -3.854751 -2.365717 -2.385177
O 3.194044 1.457122 -1.203604
N -0.635615 -1.761317 -0.762182
N 1.972437 -0.688468 -0.092039
C -0.149616 -0.472321 -1.358660
C 0.535483 -2.661541 -0.500296
C 0.813012 0.220368 -0.375871
C 1.490071 -1.976756 0.500169
C -1.634612 -2.425441 -1.656932
C -3.024733 -1.830591 -1.335346
C 3.049994 -0.050015 0.615697
C -3.546711 -2.283069 0.025677
C 3.754325 1.028153 -0.020031
C 3.537455 -0.494241 1.849300
C 4.893112 1.589482 0.553903
C 4.689613 0.067306 2.423850
C 5.364120 1.097157 1.781344
C -4.318800 0.264827 1.042603
C 3.895105 2.492762 -1.964379
C 3.019868 2.662194 -3.191300
C -2.955539 0.525393 1.178469
C -5.278779 1.240425 1.338647
C -2.545661 1.788914 1.620653
C -4.856847 2.497116 1.779690
C -3.491358 2.773361 1.920827
H 0.360213 -0.617051 -2.337168
H -1.026734 0.186114 -1.537314
H 0.161096 -3.607737 -0.055058
H 1.092441 -2.924740 -1.426688
H 1.198639 1.157034 -0.846218
H 0.273637 0.508292 0.551831
H 0.971482 -1.834131 1.473868
H 2.366369 -2.639898 0.671935
H -1.432048 -2.300902 -2.743633
H -1.652720 -3.522270 -1.483149
H -3.018560 -0.720441 -1.434642
H -2.740099 -2.249440 0.788373
H -3.893835 -3.336722 -0.013219
H 3.028486 -1.289055 2.391521
H -4.779240 -2.058881 -2.281153
H 5.429776 2.398265 0.068988
H 5.045748 -0.311899 3.379142
H 6.258646 1.532073 2.222802
H 4.905270 2.122107 -2.209741
H 3.951636 3.405260 -1.347417
H 3.487159 3.325803 -3.927293
H 2.835701 1.691802 -3.676787
H 2.036492 3.075495 -2.932985
H -2.202298 -0.233744 0.949777
H -6.343221 1.031401 1.230750
H -1.483604 2.002021 1.733219
H -5.593763 3.263774 2.014507
H -3.168080 3.753497 2.265357


%chk=000260298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260298

0 1
S -5.099454 -1.490169 0.641866
O -3.931845 -2.287524 -2.360216
O 3.267979 1.454514 -1.250318
N -0.600054 -1.735659 -0.774547
N 1.952606 -0.642757 0.049986
C -0.124519 -0.426725 -1.296077
C 0.562556 -2.615233 -0.499179
C 0.813176 0.248143 -0.284271
C 1.503938 -1.963879 0.530845
C -1.630150 -2.364315 -1.639421
C -3.031146 -1.820123 -1.297595
C 3.128008 -0.080401 0.616404
C -3.498290 -2.322483 0.077533
C 3.825603 0.996590 -0.037145
C 3.704784 -0.595740 1.810371
C 5.014058 1.525388 0.511856
C 4.907194 -0.079842 2.344377
C 5.561266 0.988841 1.701819
C -4.532589 0.206089 1.094617
C 4.020993 2.461419 -2.021111
C 3.238700 2.708530 -3.309050
C -3.172805 0.580498 1.220068
C -5.553996 1.154194 1.357555
C -2.844832 1.900097 1.609935
C -5.214441 2.466981 1.749817
C -3.857562 2.848378 1.877107
H 0.419189 -0.555606 -2.264400
H -0.993706 0.231493 -1.475995
H 0.195661 -3.576199 -0.092938
H 1.146393 -2.830115 -1.428571
H 1.204234 1.182558 -0.711046
H 0.234604 0.488008 0.640281
H 0.967558 -1.887976 1.507433
H 2.384148 -2.616608 0.668045
H -1.445523 -2.192729 -2.724795
H -1.623097 -3.458994 -1.478352
H -3.000647 -0.710628 -1.293761
H -2.720016 -2.184587 0.844560
H -3.766647 -3.391798 0.016958
H 3.195344 -1.403544 2.344379
H -4.851390 -1.995647 -2.120137
H 5.536787 2.344109 0.008363
H 5.316422 -0.506611 3.266517
H 6.488207 1.405212 2.109900
H 5.037937 2.073453 -2.235648
H 4.116984 3.392907 -1.425625
H 3.766556 3.449971 -3.936111
H 3.133906 1.773406 -3.885090
H 2.229326 3.096134 -3.087473
H -2.363970 -0.131597 1.024700
H -6.607128 0.867300 1.257980
H -1.789234 2.180505 1.705544
H -6.012014 3.190485 1.952719
H -3.595761 3.867988 2.179436


