%chk=000202178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202178

0 1
S -0.887587 0.114140 1.272296
O 1.797892 -2.373031 -1.332229
O 3.577809 3.238061 -1.196689
O -4.068646 -0.110535 -1.991499
N 2.491657 2.194453 0.510689
N 4.748015 -1.771857 0.348388
N 5.829427 -0.245829 -1.191166
N 3.309139 -1.024075 2.034616
C 3.772801 1.843534 1.191296
C 1.255586 1.675959 1.061696
C 0.608832 0.639442 0.492526
C 4.402768 0.638378 0.562616
C 1.060055 -0.158672 -0.677818
C 0.783116 2.397483 2.281677
C 0.904163 -1.676118 -0.458852
C 4.168311 -0.694598 0.996276
C 5.242212 0.797444 -0.557484
C 2.518340 2.857829 -0.732310
C 5.558802 -1.510684 -0.719901
C -2.071770 0.104148 -0.021989
C 6.175781 -2.666968 -1.425569
C -3.318757 -0.291202 0.247529
C -5.759036 -0.580926 -0.398895
C -4.352617 -0.301331 -0.825208
C -6.278727 -0.065807 0.796671
C -6.571877 -1.353289 -1.242053
C -7.603087 -0.334240 1.152041
C -7.892976 -1.627477 -0.878212
C -8.408108 -1.118780 0.318321
H 4.457515 2.725906 1.096620
H 3.586750 1.701323 2.276670
H 2.130199 0.047068 -0.917711
H 0.514988 0.141845 -1.598805
H 1.382350 3.292514 2.506336
H 0.805819 1.758348 3.175685
H -0.259109 2.743057 2.167269
H 1.100683 -1.971395 0.586314
H -0.090182 -2.043276 -0.776604
H 5.438119 1.802920 -0.973810
H 1.534869 3.025128 -1.195035
H -1.757462 0.431763 -1.019549
H 3.307319 -1.974481 2.381412
H 3.000045 -0.312917 2.673419
H 7.256779 -2.509889 -1.577191
H 6.038269 -3.613453 -0.879680
H 5.734921 -2.790672 -2.429813
H 2.707788 -2.383446 -0.961601
H -3.638968 -0.637490 1.230918
H -5.658272 0.552950 1.444754
H -6.166478 -1.730338 -2.183991
H -8.009474 0.068585 2.078300
H -8.521565 -2.232288 -1.530331
H -9.439116 -1.330312 0.600463


%chk=000202178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202178

0 1
S -0.952704 0.691498 1.628128
O 1.671170 -2.388561 -0.748021
O 3.697885 3.280960 -1.363091
O -3.813741 -0.174059 -1.869098
N 2.712408 2.255247 0.502318
N 4.411836 -1.827967 0.216437
N 5.742151 -0.546273 -1.358806
N 3.461872 -0.881551 2.120010
C 4.058621 1.903649 1.060157
C 1.478718 1.953404 1.206512
C 0.647602 0.974834 0.717035
C 4.561843 0.598950 0.468033
C 0.975812 0.002346 -0.399250
C 1.207724 2.856629 2.394475
C 0.809443 -1.501132 0.022935
C 4.153484 -0.689649 0.943025
C 5.378554 0.589582 -0.680661
C 2.672773 2.930900 -0.717608
C 5.197706 -1.714827 -0.903059
C -2.101215 0.326843 0.291522
C 5.443383 -2.971506 -1.696505
C -3.391911 -0.065872 0.496070
C -5.690082 -0.749973 -0.465782
C -4.265219 -0.317844 -0.683549
C -6.289665 -0.878841 0.817203
C -6.471291 -1.036299 -1.619613
C -7.636516 -1.283507 0.940059
C -7.813715 -1.441967 -1.496802
C -8.401997 -1.567036 -0.214466
H 4.749097 2.720138 0.784550
H 3.982835 1.876190 2.162476
H 2.021643 0.168563 -0.708756
H 0.359652 0.188281 -1.299260
H 1.160625 3.911458 2.063113
H 2.025635 2.797196 3.139398
H 0.264326 2.612190 2.906985
H 0.994379 -1.600770 1.112279
H -0.219886 -1.841126 -0.179786
H 5.738324 1.536699 -1.097243
H 1.633205 3.135751 -1.053272
H -1.740081 0.455280 -0.735610
H 3.256096 -1.838755 2.401558
H 3.124877 -0.109239 2.686079
H 6.172125 -2.770199 -2.494893
H 5.810151 -3.782575 -1.044107
H 4.499395 -3.324005 -2.153571
H 2.599072 -2.388935 -0.366812
H -3.784901 -0.204862 1.507483
H -5.722717 -0.662283 1.728035
H -5.992861 -0.929352 -2.598732
H -8.088515 -1.377439 1.933514
H -8.403240 -1.661036 -2.393697
H -9.446858 -1.882244 -0.116533


