%chk=000210052.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210052

0 1
S 2.352407 -0.077355 2.524161
O 0.961420 0.052143 -2.289355
N -3.358695 0.575347 -0.154569
N -0.616084 0.531700 -0.722739
N -0.188163 0.515627 1.644562
C -4.584420 1.432640 -0.276689
C -3.715161 -0.858739 0.113427
C -5.454702 0.919349 -1.436042
C -4.573089 -1.399780 -1.041105
C -5.836177 -0.552081 -1.234356
C 3.022749 -0.326840 0.031379
C -2.446066 1.099108 0.909244
C 3.830700 -0.542777 -1.203454
C 5.153773 -1.256016 -0.878673
C 5.836341 -0.654899 0.360498
C 3.550304 -0.414872 1.288612
C 4.948938 -0.771660 1.618086
C 1.617867 0.015775 0.039168
C -1.019303 0.682384 0.605720
C 1.111508 0.186508 1.331132
C 0.744401 0.172473 -1.101475
H -4.256397 2.472986 -0.492169
H -5.180749 1.462324 0.660599
H -4.248389 -0.993434 1.079232
H -2.768936 -1.439509 0.182022
H -4.902098 1.032813 -2.390772
H -6.360669 1.546593 -1.524089
H -4.839530 -2.454108 -0.841796
H -3.977346 -1.401142 -1.976358
H -6.505143 -0.657677 -0.359391
H -6.410962 -0.918775 -2.105347
H -2.474631 2.216114 0.929155
H -2.714511 0.772002 1.943596
H 3.245817 -1.117699 -1.954159
H 4.024883 0.439859 -1.685945
H 4.959770 -2.333359 -0.709987
H 5.832525 -1.196897 -1.749424
H 6.068253 0.411768 0.173248
H 6.804099 -1.157034 0.540387
H 5.354468 -0.123641 2.421734
H 4.988827 -1.810960 2.011581
H -1.316932 0.633942 -1.474547


%chk=000210052-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210052

0 1
S 2.450792 0.070358 2.635969
O 0.804750 -0.178708 -2.208621
N -3.372418 0.562393 -0.041658
N -0.705681 0.372970 -0.502887
N -0.173789 0.531426 1.818933
C -4.550622 1.445167 -0.265866
C -3.769333 -0.868635 0.105344
C -5.321368 1.013641 -1.529165
C -4.526793 -1.363140 -1.143003
C -5.752992 -0.467605 -1.431549
C 2.983072 -0.346958 0.040581
C -2.494227 1.013995 1.062470
C 3.753441 -0.664285 -1.229003
C 5.122660 -1.312151 -0.909839
C 5.859949 -0.555007 0.220621
C 3.602657 -0.332083 1.281043
C 5.058564 -0.614110 1.549747
C 1.571994 -0.032505 0.119989
C -1.048871 0.604049 0.815162
C 1.112270 0.218279 1.435482
C 0.601822 0.030657 -0.973448
H -4.188880 2.484743 -0.374260
H -5.243590 1.419647 0.613239
H -4.413531 -1.001856 1.011132
H -2.854530 -1.470056 0.262925
H -4.667186 1.151970 -2.411884
H -6.202366 1.670330 -1.660093
H -4.836522 -2.413993 -0.987887
H -3.840015 -1.345112 -2.011556
H -6.493489 -0.581891 -0.612922
H -6.252766 -0.786243 -2.365190
H -2.532928 2.119691 1.117108
H -2.792498 0.633458 2.064080
H 3.143493 -1.314603 -1.880530
H 3.900153 0.270842 -1.806440
H 4.970140 -2.365394 -0.598806
H 5.745160 -1.333284 -1.823978
H 5.995375 0.503168 -0.078052
H 6.867755 -0.981667 0.381382
H 5.473391 0.110918 2.276666
H 5.171863 -1.617702 2.010336
H -1.494012 0.431485 -1.170471


