%chk=000223247.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223247

0 1
S -0.931565 2.047919 1.162633
O -0.558708 1.016665 -1.221713
N -4.412876 0.434543 -0.049444
C -5.353209 -0.675010 0.321337
C -3.852083 0.020415 -1.383997
C -3.316123 0.682137 0.961049
C -4.883214 -1.971008 -0.376661
C -3.915518 -1.519293 -1.483913
C -2.642400 2.007401 0.555895
C -3.884147 0.805973 2.380734
C 1.471911 1.243769 0.119576
C 2.295471 1.722307 -1.095016
C 3.801544 1.835611 -0.775987
C -0.004699 1.342166 -0.209912
C 1.798440 -0.186474 0.495240
C 4.083490 3.005550 0.174513
C 4.595468 1.999429 -2.078321
C 2.454362 -0.452075 1.705960
C 1.463730 -1.246169 -0.361917
C 2.775100 -1.767997 2.052496
C 1.786029 -2.558526 -0.009914
C 2.443044 -2.822431 1.196730
H -6.354051 -0.369221 -0.052841
H -5.446776 -0.808172 1.414489
H -2.821916 0.399589 -1.546580
H -4.496433 0.491924 -2.155293
H -2.566444 -0.153396 0.946010
H -4.380910 -2.645252 0.335933
H -5.737010 -2.531525 -0.788623
H -4.261311 -1.837291 -2.480073
H -2.916559 -1.964595 -1.343884
H -2.647153 2.151752 -0.546960
H -3.174784 2.882362 0.975252
H -4.306776 -0.143639 2.731750
H -4.682401 1.556931 2.431678
H -3.102775 1.096717 3.092314
H 1.717886 1.920635 0.984722
H 1.911234 2.701303 -1.441998
H 2.141919 1.025091 -1.943410
H 4.131571 0.887361 -0.279871
H 5.148507 3.064521 0.424325
H 3.531638 2.902580 1.115132
H 3.800487 3.966560 -0.268925
H 4.454631 1.142479 -2.745959
H 4.296993 2.898801 -2.627750
H 5.669516 2.082801 -1.878500
H 2.715278 0.362213 2.379611
H 0.945872 -1.042733 -1.301084
H 3.284481 -1.970468 2.993372
H 1.524247 -3.378034 -0.677563
H 2.693593 -3.845696 1.468758


%chk=000223247-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223247

0 1
S -0.951248 2.204037 1.129843
O -0.494633 0.785857 -1.174922
N -4.495420 0.474728 -0.163594
C -5.611382 -0.420978 0.252657
C -4.078915 -0.094669 -1.486477
C -3.343305 0.645788 0.780290
C -5.164407 -1.867334 -0.124896
C -4.286484 -1.654067 -1.399824
C -2.681576 1.991750 0.386034
C -3.762833 0.670701 2.261625
C 1.525730 1.232435 0.174336
C 2.324677 1.792973 -1.045255
C 3.859811 1.859620 -0.836143
C 0.026989 1.287125 -0.152066
C 1.930337 -0.199907 0.547684
C 4.257494 2.816754 0.312898
C 4.542899 2.285496 -2.158035
C 2.453686 -0.475711 1.835522
C 1.797987 -1.265865 -0.380383
C 2.849726 -1.785754 2.189815
C 2.191073 -2.575159 -0.027034
C 2.721679 -2.840456 1.257661
H -6.505237 -0.141447 -0.340009
H -5.865878 -0.291802 1.314906
H -3.034526 0.175186 -1.716349
H -4.727431 0.327850 -2.276935
H -2.585781 -0.162850 0.644637
H -4.563170 -2.304126 0.694360
H -6.023258 -2.538165 -0.304659
H -4.792533 -2.029953 -2.306918
H -3.321723 -2.184017 -1.315895
H -2.550317 2.062707 -0.705017
H -3.279249 2.846102 0.743215
H -4.103955 -0.317855 2.615448
H -4.572177 1.406281 2.426469
H -2.895349 0.963259 2.880383
H 1.700188 1.883526 1.050377
H 1.946486 2.810535 -1.275752
H 2.097769 1.163567 -1.926689
H 4.215204 0.841320 -0.577272
H 5.357587 2.883381 0.401550
H 3.869301 2.478704 1.291034
H 3.870938 3.837439 0.125389
H 4.294855 1.589402 -2.980984
H 4.217673 3.299498 -2.462376
H 5.643077 2.303869 -2.048152
H 2.549687 0.337451 2.565727
H 1.369357 -1.070419 -1.369576
H 3.254785 -1.981458 3.189129
H 2.081004 -3.389812 -0.751916
H 3.027388 -3.857038 1.529538


