%chk=000183417.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183417

0 1
S 5.060828 -0.798844 -0.762240
O -1.187788 -0.915420 1.141356
O 4.299118 -0.719345 0.747862
O -3.209438 0.020048 3.600726
O 6.514125 -0.416512 -0.054503
O 5.095833 -2.138989 -1.221803
O 4.618422 0.286618 -1.567414
N -3.995301 -0.522924 0.040985
C -0.184765 1.087667 -0.403147
C -0.328679 0.738903 -1.902875
C 0.324564 2.546897 -0.350018
C 0.597163 1.696372 -2.668585
C 0.847197 2.909141 -1.752685
C 0.736515 0.114578 0.291754
C 0.192074 -0.888585 1.140751
C 2.119105 0.147782 0.127664
C -4.721534 0.256217 -1.018848
C 0.991750 -1.799731 1.837320
C 2.912255 -0.780801 0.820393
C -3.240930 -0.710099 2.353555
C -1.864380 -1.400693 2.336888
C -3.490156 0.275633 1.192260
C 2.379937 -1.748191 1.675390
C -3.891488 1.436285 -1.567008
C -6.045156 0.778019 -0.429956
C -5.014227 -0.737856 -2.161978
H -1.195335 1.033452 0.095090
H -1.386703 0.878128 -2.215448
H -0.082172 -0.315576 -2.106390
H 1.106030 2.678239 0.416879
H -0.498745 3.221181 -0.058335
H 1.552859 1.196656 -2.912843
H 0.154477 2.001294 -3.630191
H 0.333330 3.805266 -2.139251
H 1.921501 3.159961 -1.723058
H 2.576095 0.893466 -0.533164
H 0.551037 -2.551945 2.486547
H -4.059277 -1.465196 2.416195
H -1.289338 -1.132743 3.244819
H -1.949038 -2.494553 2.231045
H -4.244081 1.028668 1.503664
H -2.550054 0.840756 0.957096
H -3.204598 -1.038999 -0.369795
H 3.036028 -2.441088 2.199239
H -4.398489 1.917553 -2.409096
H -2.901699 1.111518 -1.928987
H -3.724628 2.208151 -0.810858
H -6.668327 1.238159 -1.202251
H -6.618694 -0.042598 0.019102
H -5.880499 1.525744 0.351615
H -5.649414 -0.282676 -2.927843
H -5.537643 -1.626043 -1.785612
H -4.100356 -1.081074 -2.656080
H -4.072555 0.438296 3.779690
H 6.476146 -0.203269 0.902979


%chk=000183417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183417

0 1
S 4.576014 -1.563761 -1.557120
O -1.148491 0.021671 1.606789
O 4.172841 -1.232696 0.759574
O -3.298010 0.783866 3.555832
O 6.030407 -0.445920 -1.236586
O 5.156784 -2.761736 -2.486116
O 3.363986 -0.658290 -2.190084
N -3.805956 -0.421636 0.001027
C 0.323381 1.872892 0.144849
C -0.301678 1.570176 -1.263098
C 1.308631 3.036782 -0.173166
C 0.887018 1.708319 -2.247726
C 1.759105 2.863370 -1.664688
C 0.976043 0.617581 0.711392
C 0.171878 -0.336501 1.436269
C 2.320182 0.296950 0.513964
C -4.782408 -0.280409 -1.130768
C 0.712614 -1.569220 1.929351
C 2.895486 -0.947806 0.981400
C -3.430541 -0.177032 2.448667
C -2.080005 -0.877582 2.335073
C -3.881776 0.518166 1.138142
C 2.046283 -1.883781 1.685196
C -4.771070 1.152038 -1.743128
C -6.204670 -0.635399 -0.630630
C -4.346248 -1.307598 -2.203299
H -0.462259 2.198421 0.849135
H -1.072972 2.337295 -1.474817
H -0.790081 0.578971 -1.314326
H 2.160173 3.072438 0.530053
H 0.763509 3.991366 -0.056106
H 1.476229 0.773437 -2.282769
H 0.545827 1.917508 -3.277205
H 1.603646 3.803903 -2.223587
H 2.832162 2.615469 -1.749437
H 2.977952 0.979196 -0.029317
H 0.079856 -2.270218 2.480030
H -4.170942 -0.967768 2.701424
H -1.685382 -1.079960 3.346994
H -2.191599 -1.813739 1.758338
H -4.930739 0.843207 1.269576
H -3.265159 1.432632 1.006282
H -2.842986 -0.462567 -0.363798
H 2.487669 -2.826972 2.022521
H -5.485129 1.227978 -2.583989
H -3.763723 1.405278 -2.125240
H -5.055014 1.912074 -0.991465
H -6.918338 -0.628452 -1.474096
H -6.206068 -1.640555 -0.173952
H -6.575469 0.088633 0.118472
H -5.029630 -1.280970 -3.070161
H -4.349211 -2.328586 -1.782631
H -3.325799 -1.087348 -2.573589
H -4.141496 1.293805 3.652612
H 5.896079 -0.210022 -0.269467


