%chk=000280405.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280405

0 1
S 2.052935 -2.354611 -0.448086
O 2.777544 -3.538991 -0.020204
O 1.448498 -2.345177 -1.755975
N -0.028094 -1.202688 0.603549
N 0.795807 -2.276523 0.765173
C -1.934231 0.229505 1.047338
C -3.278081 -0.057387 0.400516
C -1.181913 1.285476 0.255755
C -1.140711 -1.053822 1.264513
C -4.383553 0.732044 0.754022
C -0.622123 2.378450 0.935311
C -3.433065 -1.081290 -0.545049
C -1.044348 1.195109 -1.137509
C -1.727090 -2.021143 2.248843
C 3.002550 -0.953018 -0.191218
C -5.630404 0.493654 0.170170
C 0.057401 3.373139 0.226207
C -4.682765 -1.316410 -1.124817
C -0.366092 2.193037 -1.842004
C -5.783832 -0.531842 -0.768255
C 0.184486 3.285098 -1.163207
C 4.299057 -1.082017 0.328214
C 2.499683 0.316666 -0.496090
C 4.585150 1.325041 0.224864
C 5.088845 0.045838 0.532794
C 3.285842 1.452236 -0.288826
C 5.439480 2.528095 0.446834
H -2.124831 0.641447 2.080267
H -4.272029 1.538505 1.476156
H -0.710320 2.455737 2.016894
H -2.578309 -1.694069 -0.834158
H -1.459265 0.339275 -1.671734
H -1.777561 -3.040555 1.840334
H -2.755693 -1.757856 2.534327
H -1.132561 -2.057625 3.172731
H 0.505495 -3.104741 1.301824
H -6.484126 1.110492 0.446011
H 0.485212 4.219807 0.759553
H -4.796364 -2.112669 -1.859279
H -0.267721 2.117649 -2.924247
H -6.755421 -0.716307 -1.221491
H 0.704410 4.064213 -1.715570
H 4.692834 -2.076514 0.572744
H 1.481399 0.431061 -0.893717
H 6.095449 -0.059914 0.931667
H 2.877324 2.434390 -0.523906
H 6.341782 2.496099 -0.182905
H 4.922607 3.469793 0.218455
H 5.779311 2.592814 1.491283


%chk=000280405-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280405

0 1
S 1.852618 -2.266893 -0.452054
O 2.539681 -3.714053 -0.161817
O 0.966064 -1.993275 -1.789203
N -0.123784 -0.930024 0.860625
N 0.741836 -1.967259 1.135124
C -2.175718 0.373486 1.130322
C -3.423093 -0.132574 0.374594
C -1.456907 1.511117 0.391053
C -1.270893 -0.809959 1.489990
C -4.690657 0.438348 0.651437
C -1.165347 2.711031 1.085274
C -3.329576 -1.139750 -0.620424
C -1.072459 1.402440 -0.969338
C -1.752013 -1.790948 2.542542
C 3.130724 -0.911884 -0.252877
C -5.841449 0.020440 -0.053110
C -0.505062 3.783106 0.441635
C -4.479778 -1.560687 -1.324734
C -0.412421 2.470279 -1.615709
C -5.739388 -0.982606 -1.045002
C -0.126210 3.666317 -0.914579
C 4.392834 -1.278307 0.242575
C 2.780119 0.399968 -0.606022
C 5.062690 1.087592 0.038791
C 5.359950 -0.260739 0.378388
C 3.767242 1.399427 -0.449550
C 6.119135 2.166560 0.193119
H -2.535237 0.792116 2.093150
H -4.773639 1.221630 1.415617
H -1.454343 2.809143 2.139717
H -2.358168 -1.596130 -0.846144
H -1.284049 0.485349 -1.526754
H -1.780372 -2.830026 2.152807
H -2.768530 -1.542156 2.884611
H -1.069783 -1.789644 3.414963
H 0.338988 -2.911533 1.345442
H -6.813742 0.473724 0.170981
H -0.292790 4.704837 0.995428
H -4.391465 -2.337905 -2.092210
H -0.127672 2.371004 -2.669618
H -6.630735 -1.310085 -1.591711
H 0.376039 4.498219 -1.421759
H 4.605012 -2.321519 0.498067
H 1.779656 0.640556 -0.977000
H 6.357413 -0.516162 0.754836
H 3.517826 2.435023 -0.706425
H 6.976812 1.983005 -0.481123
H 5.716117 3.166295 -0.040144
H 6.517124 2.192608 1.224322


