%chk=000291842.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291842

0 1
S 0.207416 -1.487318 -2.295853
O -0.673886 -0.761853 1.560812
N 1.347308 0.391541 -0.809473
C 3.462781 0.353439 1.194806
C 3.418142 -0.667534 0.049787
C 2.062249 0.893606 1.509521
C 2.705485 -0.100641 -1.188750
C 1.388422 1.449343 0.245358
C 0.216754 -0.244180 -1.175678
C -1.093857 0.190339 -0.648093
C -1.524979 -0.136799 0.652062
C -1.972292 0.903588 -1.480232
C -2.783491 0.252609 1.130003
C -3.226683 1.299593 -1.011038
C -3.629487 0.978780 0.291172
C -0.533887 -2.195529 1.363232
H 3.896236 -0.115359 2.098833
H 4.140115 1.188233 0.930573
H 4.442313 -0.980744 -0.227667
H 2.898677 -1.588198 0.385513
H 1.423159 0.086595 1.935645
H 2.113944 1.681040 2.283435
H 3.272209 0.753918 -1.619951
H 2.641260 -0.876941 -1.989799
H 0.364794 1.814944 0.479209
H 1.956105 2.317329 -0.158636
H -1.669822 1.139990 -2.503212
H -3.077326 -0.014752 2.143123
H -3.898063 1.852966 -1.665859
H -4.610845 1.290264 0.649254
H -0.130823 -2.411473 0.366829
H -1.502194 -2.681343 1.510691
H 0.175867 -2.468352 2.151084


%chk=000291842-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291842

0 1
S 0.212016 -1.551396 -2.382852
O -0.688239 -0.920216 1.509366
N 1.370311 0.299765 -0.715310
C 3.615363 0.526375 1.161235
C 3.555830 -0.582738 0.084153
C 2.189420 0.988298 1.541345
C 2.726341 -0.128887 -1.138967
C 1.388451 1.401568 0.284604
C 0.234681 -0.295317 -1.192594
C -1.089444 0.179165 -0.658117
C -1.537399 -0.177708 0.644666
C -1.953697 0.946921 -1.480266
C -2.802957 0.234547 1.116120
C -3.216371 1.368353 -1.011341
C -3.642551 1.015263 0.291160
C -0.802635 -2.388755 1.339186
H 4.154289 0.166069 2.057431
H 4.190437 1.389657 0.765072
H 4.572807 -0.854244 -0.257180
H 3.094839 -1.495680 0.508311
H 1.639113 0.174816 2.048607
H 2.229789 1.849583 2.235407
H 3.219330 0.733246 -1.634073
H 2.606526 -0.937884 -1.878380
H 0.356318 1.674473 0.546469
H 1.867419 2.281720 -0.194682
H -1.626553 1.195779 -2.495331
H -3.105744 -0.054518 2.128219
H -3.866782 1.963519 -1.661128
H -4.622281 1.339563 0.658801
H -0.561662 -2.681418 0.300096
H -1.825463 -2.726355 1.595891
H -0.075903 -2.826465 2.040787


