%chk=000206234.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206234

0 1
S -1.837371 1.352686 1.711667
O 3.819782 1.718314 0.108757
N -1.401484 -1.139407 -0.258658
N -2.014795 -3.925086 0.323560
N 4.202371 -0.602117 -0.231231
C -0.701722 -0.031025 -0.996371
C -2.220162 -1.976364 -1.200336
C -0.416637 -2.026578 0.450093
C -2.991617 -3.038816 -0.391958
C -1.182806 -3.093845 1.255838
C -1.698662 0.987926 -1.606556
C 0.234241 0.726905 -0.072257
C -2.999040 1.161230 -0.879217
C -0.219259 1.426504 1.049413
C -2.738261 -4.989439 1.082059
C 1.600179 0.769069 -0.402405
C -3.110274 1.334027 0.501995
C -4.180177 1.175644 -1.652522
C 0.663900 2.178337 1.843721
C 2.459775 1.502269 0.411950
C -4.367888 1.507561 1.108496
C 2.021791 2.216448 1.537222
C -5.426999 1.351236 -1.058478
C -5.522583 1.515423 0.329944
C 4.648326 0.681011 -0.244111
C 5.965329 1.075452 -0.578388
C 6.857644 0.061927 -0.908216
C 5.107491 -1.568327 -0.559006
C 6.433274 -1.277469 -0.900114
H -0.096391 -0.446492 -1.852455
H -1.603244 -2.474114 -1.979824
H -2.953400 -1.321612 -1.717160
H 0.181065 -1.408752 1.155673
H 0.297313 -2.518255 -0.245730
H -3.704313 -2.533644 0.296973
H -3.587590 -3.666426 -1.087026
H -0.454002 -3.761773 1.761306
H -1.785619 -2.596741 2.047872
H -1.890989 0.693437 -2.660047
H -1.200445 1.981995 -1.680505
H -1.999149 -5.648986 1.564188
H -3.308118 -5.609836 0.372304
H -3.429971 -4.622232 1.854410
H 1.987075 0.220727 -1.260817
H -4.115915 1.047960 -2.731843
H 0.294218 2.735381 2.708965
H -4.450399 1.638964 2.189679
H 2.730073 2.782773 2.138002
H -6.327057 1.360918 -1.669888
H -6.495456 1.650586 0.797815
H 6.243178 2.125537 -0.567705
H 7.887661 0.305555 -1.173443
H 4.727533 -2.597224 -0.537719
H 7.124973 -2.075540 -1.154517


%chk=000206234-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206234

0 1
S -1.953042 1.434046 1.843493
O 3.877431 1.697099 0.230754
N -1.371526 -1.183812 -0.204711
N -1.972229 -3.975118 0.365797
N 4.239382 -0.610180 -0.281092
C -0.696116 -0.046013 -0.885817
C -2.159690 -2.016691 -1.149470
C -0.427959 -2.041837 0.560324
C -2.914195 -3.124738 -0.398155
C -1.191745 -3.141708 1.311198
C -1.716044 0.916280 -1.581216
C 0.223133 0.738962 0.047606
C -3.044069 1.175957 -0.880046
C -0.249029 1.475585 1.166210
C -2.649319 -5.101403 1.034652
C 1.601927 0.791997 -0.266924
C -3.217937 1.438386 0.505385
C -4.209780 1.198885 -1.696658
C 0.656950 2.231132 1.952175
C 2.496576 1.527214 0.536610
C -4.511385 1.703419 1.030965
C 2.032023 2.255162 1.649097
C -5.495312 1.464587 -1.184776
C -5.645997 1.716613 0.197606
C 4.694228 0.660981 -0.240290
C 6.005704 1.050893 -0.618151
C 6.882162 0.041950 -1.057266
C 5.106446 -1.576448 -0.710847
C 6.431381 -1.303419 -1.106401
H -0.036342 -0.433545 -1.708487
H -1.495390 -2.486631 -1.920284
H -2.899784 -1.382851 -1.666975
H 0.114846 -1.417257 1.289760
H 0.326845 -2.518043 -0.115276
H -3.673450 -2.646377 0.272305
H -3.453335 -3.757354 -1.128883
H -0.468428 -3.789316 1.841833
H -1.853553 -2.659694 2.075481
H -1.945349 0.519714 -2.587469
H -1.186171 1.874278 -1.750764
H -1.901267 -5.734888 1.544884
H -3.168769 -5.723371 0.283110
H -3.404397 -4.777098 1.796250
H 1.974516 0.223125 -1.121646
H -4.089756 1.001486 -2.769755
H 0.279475 2.809501 2.801745
H -4.623697 1.907745 2.102213
H 2.737485 2.838112 2.247843
H -6.364044 1.474358 -1.851559
H -6.632418 1.926170 0.625285
H 6.299130 2.101618 -0.557830
H 7.903604 0.297474 -1.357570
H 4.707559 -2.596766 -0.728885
H 7.086120 -2.112466 -1.441980


