%chk=000002639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000002639

0 1
S -0.949138 1.215785 -2.404098
S 5.492497 -0.968797 2.611585
O 1.432051 -2.316123 -0.601705
O -1.647397 -3.542119 -1.020832
O -2.199910 -2.768819 1.023213
O 3.878654 1.026222 -2.469018
O 6.200596 3.216090 0.405868
N -0.342984 -0.666745 -0.540995
N 2.569878 0.725851 -0.607553
N -4.754873 -0.759102 0.160505
N -6.217725 0.065433 1.673627
N -7.306604 0.697659 2.168193
N 5.211631 2.809368 -0.448613
N 6.505904 -0.149389 0.361640
N 4.650326 0.268778 1.764797
N 7.873217 -1.823038 1.447006
C 0.055554 0.703984 -0.987885
C 1.461536 0.149084 -1.346878
C 0.967035 -1.248672 -0.803016
C -1.624485 -1.189305 -0.647175
C -2.685769 -0.471067 -1.114810
C -2.591935 0.913179 -1.658773
C -4.040792 -1.092149 -1.122026
C -1.812158 -2.692598 -0.160820
C 3.750479 1.093765 -1.268731
C -5.935269 -0.045067 0.278547
C -4.301300 -1.077122 1.441311
C -5.196617 -0.579604 2.386206
C 4.828450 1.578312 -0.308880
C -6.846806 0.541165 -0.651492
C -7.944899 1.178890 -0.144971
C 5.317776 0.561724 0.652959
C -8.141171 1.235877 1.284070
C 6.757277 -1.033157 1.333749
C 6.529814 4.616336 0.108385
H 0.019748 1.454772 -0.173434
H 1.684441 0.109100 -2.446697
H -2.777417 1.669746 -0.871867
H -3.322180 1.092401 -2.472585
H 2.500012 0.747116 0.413444
H -3.988268 -2.214451 -1.189366
H -4.658769 -0.749720 -1.978987
H -3.334275 -1.680432 1.592080
H -5.169704 -0.646494 3.466396
H -6.642908 0.463639 -1.722656
H -8.686480 1.651143 -0.793880
H -9.024846 1.747728 1.702963
H 5.662978 5.257816 0.285755
H 7.328193 4.795138 0.838077
H 6.891650 4.712105 -0.919547
H 8.494038 -1.869815 0.642803
H 7.808545 -2.681023 1.976511


%chk=000002639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002639

0 1
S -1.025254 1.438843 -2.359531
S 4.926939 -0.975204 2.680157
O 1.390647 -2.554916 -1.008796
O -1.603834 -3.644699 -1.885232
O -2.536199 -3.313481 0.226638
O 3.471874 1.664662 -2.493654
O 6.417884 3.077173 0.126662
N -0.436885 -0.911033 -0.953971
N 2.563953 0.481740 -0.695884
N -4.928882 -0.972400 0.035734
N -6.203523 -0.256443 1.720298
N -7.134508 0.464523 2.450752
N 5.335038 2.714890 -0.735821
N 6.472589 0.407804 0.999686
N 4.154915 0.083577 1.444292
N 7.756978 -0.921023 2.508907
C -0.012567 0.511483 -1.071628
C 1.427411 0.011993 -1.444891
C 0.892629 -1.430275 -1.126389
C -1.739346 -1.404366 -1.002222
C -2.798031 -0.538124 -1.224751
C -2.647703 0.953327 -1.455611
C -4.194854 -1.107443 -1.284030
C -1.950951 -2.932831 -0.883275
C 3.546832 1.251839 -1.300283
C -5.872931 -0.031527 0.362625
C -4.656679 -1.777802 1.154365
C -5.449640 -1.327087 2.204801
C 4.735642 1.584218 -0.395572
C -6.523612 1.006954 -0.338764
C -7.481919 1.747492 0.368542
C 5.135172 0.682395 0.720648
C -7.745233 1.439115 1.741064
C 6.576280 -0.454513 2.008035
C 7.000479 4.339376 -0.381761
H -0.072264 1.055231 -0.114585
H 1.627979 0.143996 -2.524544
H -2.656196 1.546175 -0.520244
H -3.450669 1.339835 -2.109868
H 2.743201 0.159441 0.276582
H -4.185405 -2.184903 -1.514348
H -4.815564 -0.597681 -2.043553
H -3.854496 -2.545448 1.053131
H -5.545074 -1.671058 3.228693
H -6.282728 1.214688 -1.383234
H -8.028114 2.561701 -0.112007
H -8.483502 2.003738 2.316682
H 6.234682 5.133103 -0.402770
H 7.798383 4.582416 0.337057
H 7.415391 4.187252 -1.391920
H 8.622490 -0.588340 2.086274
H 7.796774 -1.614988 3.249916


