%chk=000186320.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186320

0 1
S -0.616152 0.347289 -2.819383
P -1.371220 -1.347063 -1.843090
O -2.739448 -0.825832 -1.069083
O -0.389188 -1.998772 -0.927659
N 2.383664 0.961627 -0.115564
C -2.587566 -0.493166 0.344893
C -3.933446 -0.875865 0.983825
C -2.442675 1.032364 0.475977
C -4.359914 0.318245 1.856005
C -3.276086 1.407497 1.709568
C 3.474748 1.908122 -0.507778
C 2.672379 0.008146 1.002832
C 1.708489 0.334555 -1.292227
C 0.435924 1.146893 -1.540511
C 3.886919 2.760154 0.702003
C 4.709332 1.253698 -1.151602
C 3.557010 -1.192435 0.623615
C 1.335976 -0.487788 1.578125
C -2.085696 -2.306345 -3.253971
H -1.734503 -1.049791 0.793467
H -3.850135 -1.805493 1.568048
H -4.675909 -1.075630 0.186050
H -1.385995 1.347434 0.561716
H -2.846084 1.524075 -0.431960
H -4.477484 0.019305 2.910599
H -5.342072 0.702207 1.530202
H -3.724224 2.408651 1.601996
H -2.640429 1.445723 2.611696
H 3.013125 2.596382 -1.270268
H 3.203559 0.598668 1.796934
H 1.462166 -0.735680 -1.069709
H 2.346583 0.314042 -2.200436
H -0.129693 1.303570 -0.594919
H 0.664918 2.154661 -1.937015
H 4.445258 2.180024 1.444955
H 4.520289 3.596889 0.392086
H 3.005131 3.175280 1.206288
H 4.450200 0.733750 -2.079512
H 5.168077 0.511790 -0.482053
H 5.473282 1.998581 -1.391752
H 3.741796 -1.832097 1.491857
H 3.083283 -1.821586 -0.139277
H 4.529367 -0.867579 0.231708
H 0.668350 0.348608 1.806140
H 1.492057 -1.061468 2.495188
H 0.805990 -1.147138 0.868269
H -2.955185 -1.793276 -3.691085
H -2.424703 -3.297225 -2.915517
H -1.349564 -2.466503 -4.054174


%chk=000186320-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186320

0 1
S -0.725336 0.886609 -2.123850
P -1.427468 -1.127165 -1.238511
O -3.114157 -0.965978 -0.835086
O -0.484466 -1.607605 -0.030848
N 3.045018 0.774432 -0.259760
C -3.496657 -0.334804 0.458558
C -4.865619 -0.923241 0.892193
C -3.721525 1.189220 0.350803
C -5.654898 0.265961 1.533690
C -4.660470 1.468962 1.547970
C 3.952362 1.878853 -0.662902
C 3.533411 -0.278092 0.670596
C 1.978197 0.427225 -1.206802
C 0.688298 1.205284 -0.865434
C 4.362814 2.766805 0.537202
C 5.207370 1.414835 -1.459199
C 4.050767 -1.571020 -0.028855
C 2.452529 -0.636580 1.721504
C -1.613070 -2.272477 -2.687007
H -2.708203 -0.562831 1.202890
H -4.733457 -1.770871 1.586021
H -5.376684 -1.309928 -0.007130
H -2.783589 1.769919 0.371777
H -4.234372 1.406312 -0.605338
H -6.022980 0.025610 2.546449
H -6.538104 0.514189 0.917291
H -5.170386 2.444941 1.469488
H -4.080027 1.474894 2.491020
H 3.350298 2.516449 -1.342846
H 4.390983 0.170024 1.209388
H 1.749012 -0.651640 -1.150421
H 2.269896 0.642913 -2.257510
H 0.320377 0.919251 0.132568
H 0.838646 2.298070 -0.905665
H 5.005573 2.217470 1.249928
H 4.933883 3.647352 0.188456
H 3.466802 3.114785 1.080179
H 4.918341 0.790765 -2.324979
H 5.885443 0.823209 -0.816628
H 5.775808 2.286122 -1.836431
H 4.516404 -2.244070 0.715497
H 3.221270 -2.130401 -0.500195
H 4.801380 -1.339422 -0.804499
H 2.160492 0.263650 2.291513
H 2.835650 -1.394405 2.431542
H 1.547899 -1.051028 1.238682
H -2.299894 -1.819960 -3.417816
H -2.022215 -3.229177 -2.326701
H -0.624846 -2.425920 -3.145293


