%chk=000190893.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190893

0 1
S -8.056997 -4.282949 0.453584
O 4.710912 0.053666 -0.991428
O 4.909198 2.579926 0.952090
O 5.986208 0.632176 2.153117
O 3.845413 -2.458436 -0.506647
N 2.448844 0.717226 -0.925616
N 0.648927 -0.478717 -1.703752
N 5.329921 -2.821542 1.190494
N 1.228271 2.770471 -0.144497
N -2.188604 0.755000 -1.660355
N -1.186303 2.621904 -0.542116
N -6.669376 -1.903983 0.630954
C 4.039021 1.451568 0.864982
C 3.841039 1.134509 -0.645633
C 4.836240 0.244967 1.432339
C 5.246392 -0.588752 0.188751
C 4.717211 -2.031131 0.227902
C 1.321286 1.523005 -0.718827
C 1.970912 -0.500149 -1.530293
C 0.207150 0.765654 -1.212932
C -1.083673 1.372865 -1.125811
C 4.957086 -4.242173 1.349055
C -0.046200 3.242575 -0.100657
C -3.557694 1.290479 -1.499201
C -4.230064 0.712716 -0.273274
C -5.132450 -0.348418 -0.405213
C -3.943156 1.244973 0.992566
C -5.742320 -0.860795 0.754295
C -4.559472 0.721198 2.132105
C -5.467010 -0.335224 2.029793
C -7.208380 -2.960556 0.563207
H 3.091445 1.645109 1.409616
H 4.140359 1.975870 -1.321705
H 4.243010 -0.343462 2.169188
H 6.349842 -0.568926 0.019930
H 4.387420 3.394227 1.149179
H 6.350952 1.496836 1.807767
H 2.666166 -1.313311 -1.765056
H 6.056320 -2.470705 1.806071
H 4.587584 -4.436160 2.369631
H 4.150664 -4.515923 0.637354
H 5.820638 -4.897613 1.146550
H -2.098650 -0.219365 -1.957377
H -0.192063 4.240658 0.346824
H -4.129628 1.056696 -2.428027
H -3.525466 2.409590 -1.429600
H -5.363864 -0.771012 -1.381877
H -3.231012 2.070781 1.082185
H -4.331462 1.140811 3.113446
H -5.951886 -0.741756 2.916319


%chk=000190893-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190893

0 1
S -10.604351 -1.480685 -0.493725
O 4.804339 0.012772 -1.181920
O 5.371979 2.544636 0.523855
O 5.822678 0.623729 2.272401
O 4.480762 -2.680572 -0.464539
N 2.492914 0.592396 -0.889736
N 0.681148 -0.773770 -1.209622
N 6.101634 -2.495308 1.212373
N 1.321937 2.754048 -0.504549
N -2.173490 0.407453 -1.087117
N -1.120681 2.496153 -0.636875
N -7.941973 -0.870152 0.273586
C 4.257122 1.593036 0.565047
C 3.887803 1.092247 -0.854776
C 4.842784 0.324960 1.244778
C 5.468546 -0.463108 0.044623
C 5.298244 -1.987679 0.210567
C 1.366156 1.410981 -0.767895
C 2.027526 -0.712356 -1.162280
C 0.259061 0.547055 -0.968581
C -1.033791 1.147043 -0.899553
C 6.073630 -3.910262 1.605448
C 0.032308 3.208768 -0.457205
C -3.527404 0.975073 -1.073055
C -4.437393 0.327480 -0.032761
C -5.770344 0.004769 -0.366056
C -3.969488 0.075588 1.282910
C -6.638258 -0.558486 0.609742
C -4.831419 -0.486685 2.249382
C -6.166317 -0.806285 1.926672
C -9.073384 -1.128341 -0.057079
H 3.384765 2.019068 1.088409
H 3.995112 1.887276 -1.613370
H 4.043211 -0.257601 1.729976
H 6.541910 -0.203239 -0.028081
H 5.039202 3.454807 0.332438
H 6.245624 1.488169 2.004346
H 2.723354 -1.543256 -1.286310
H 6.664856 -1.836407 1.758850
H 5.753351 -4.026487 2.656910
H 5.351060 -4.424713 0.952421
H 7.067251 -4.377058 1.478980
H -2.045498 -0.589396 -1.277253
H -0.096878 4.275268 -0.249456
H -3.986726 0.888656 -2.077523
H -3.399038 2.052461 -0.859065
H -6.151438 0.183495 -1.377929
H -2.933482 0.319728 1.540319
H -4.464514 -0.677405 3.263471
H -6.841700 -1.243462 2.668207


