%chk=000187071.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187071

0 1
S -2.324678 3.134004 0.434368
O 0.908493 -1.608549 -1.616344
O 3.141132 -2.475867 2.576679
O 3.845350 -3.726208 0.857248
O -0.218213 0.487435 2.075264
N 1.380995 -1.398703 0.613461
N -1.024190 0.472078 -0.051756
C -0.948583 -1.004628 -0.139399
C 2.835273 -1.515692 0.401555
C -1.874476 -1.551261 -1.236936
C 3.597350 -0.243407 0.816482
C 0.522356 -1.358495 -0.488353
C -3.321560 -1.265852 -0.948319
C 3.124771 1.010000 0.131258
C 3.331848 -2.704342 1.235166
C -3.996930 -1.990698 0.046011
C -4.004291 -0.277453 -1.672258
C -0.651551 1.122417 1.120603
C 2.718564 1.010868 -1.211377
C 3.123486 2.216241 0.852115
C -5.341847 -1.724237 0.313543
C -5.350507 -0.016141 -1.400378
C 2.319366 2.202139 -1.823001
C 2.730383 3.405381 0.233545
C -6.021288 -0.736889 -0.407932
C -0.730400 2.626868 1.121640
C 2.325527 3.402057 -1.105119
H -1.227288 -1.452497 0.857213
H 3.035923 -1.760743 -0.687743
H -1.567340 -1.153618 -2.230363
H -1.710191 -2.648694 -1.334790
H 3.530967 -0.124560 1.923554
H 4.681285 -0.378792 0.601292
H 1.084046 -1.020605 1.530987
H -1.427644 0.961566 -0.850243
H -3.475653 -2.761619 0.609973
H -3.492579 0.286310 -2.449120
H 2.699388 0.080845 -1.785976
H 3.432498 2.229137 1.896306
H -5.862351 -2.287424 1.086985
H -5.877008 0.752670 -1.963965
H 2.007518 2.192518 -2.867123
H 2.749411 4.338311 0.794802
H -7.068541 -0.530775 -0.196853
H 0.132285 3.047096 0.558387
H -0.622436 2.996687 2.166830
H 2.029797 4.329608 -1.589685
H 3.425076 -3.244129 3.142719
H -1.973743 4.345542 -0.046451


%chk=000187071-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187071

0 1
S -1.316993 3.452340 -0.264871
O 0.884635 -1.757688 -1.581509
O 2.436057 -3.490534 1.641092
O 4.616046 -2.715227 1.495633
O -0.251913 0.424939 2.271336
N 1.367647 -1.220747 0.639715
N -1.123012 0.403866 0.113063
C -0.971307 -1.055034 -0.079248
C 2.810247 -1.367946 0.483299
C -1.923022 -1.564279 -1.184941
C 3.586992 -0.074883 0.865032
C 0.509934 -1.391938 -0.423652
C -3.390247 -1.305391 -0.873247
C 3.165389 1.172300 0.096059
C 3.398458 -2.558701 1.252527
C -4.046229 -2.015168 0.166522
C -4.131880 -0.345498 -1.607046
C -0.776153 1.035360 1.273556
C 2.812854 1.137110 -1.278890
C 3.169848 2.427869 0.758108
C -5.403676 -1.769624 0.466976
C -5.491536 -0.094545 -1.309597
C 2.488601 2.325146 -1.971619
C 2.849391 3.619353 0.068961
C -6.131928 -0.805334 -0.269720
C -1.056926 2.536408 1.375023
C 2.507087 3.573212 -1.304125
H -1.213470 -1.532459 0.890110
H 2.973681 -1.604225 -0.589152
H -1.631856 -1.099818 -2.144648
H -1.730294 -2.645921 -1.303634
H 3.468784 0.106287 1.950513
H 4.662368 -0.281670 0.703992
H 0.970792 -0.848299 1.521277
H -1.494635 0.980720 -0.652452
H -3.493100 -2.770482 0.739816
H -3.646445 0.202465 -2.424854
H 2.776086 0.183759 -1.818374
H 3.431662 2.471415 1.822647
H -5.894935 -2.330547 1.270142
H -6.048143 0.650505 -1.889203
H 2.223253 2.275282 -3.033640
H 2.872832 4.579028 0.597763
H -7.185841 -0.615039 -0.038236
H -0.230490 3.005083 1.929290
H -1.988829 2.694679 1.943811
H 2.277244 4.496615 -1.847892
H 2.892131 -4.250547 2.096547
H 0.020641 3.445706 -0.647758


