%chk=000296816.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296816

0 1
S -1.942217 1.669035 1.133673
S -2.985670 -0.424008 -0.740589
N 0.226688 1.100519 -2.039157
C -0.495725 0.570598 -0.840192
C 0.635979 1.615780 -0.698020
C -1.910833 1.030161 -0.567479
C -0.245834 -0.873737 -0.525018
C 1.978147 1.235172 -0.173799
C 0.029645 -1.262906 0.794429
C -0.280384 -1.831402 -1.549517
C -3.711835 2.003353 1.387728
C -4.593173 0.254307 -0.227351
C 2.319960 1.625360 1.131848
C 2.894125 0.509070 -0.948143
C -4.540009 0.739143 1.213880
C 0.250763 -2.610997 1.087011
C -0.058638 -3.178096 -1.247559
C 3.573064 1.293646 1.651766
C 4.147364 0.183830 -0.421882
C 0.204075 -3.569365 0.068902
C 4.489400 0.575204 0.876104
H 0.352631 2.644152 -0.410299
H -0.288390 1.759121 -2.624031
H -2.246193 1.827729 -1.268592
H 0.072240 -0.516106 1.586984
H -0.468783 -1.522331 -2.577565
H -4.048265 2.811547 0.712871
H -3.796299 2.396116 2.422053
H -5.317509 -0.578635 -0.340494
H -4.918171 1.051004 -0.920147
H 1.609338 2.180474 1.741390
H 2.618627 0.194521 -1.957178
H -4.154439 -0.068618 1.876966
H -5.576053 0.932570 1.571438
H 0.462117 -2.914253 2.110373
H -0.088955 -3.921904 -2.040997
H 3.836257 1.594657 2.663869
H 4.856530 -0.380051 -1.025270
H 0.375371 -4.618139 0.301108
H 5.464957 0.319481 1.283386


%chk=000296816-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296816

0 1
S -2.260874 0.670558 1.675369
S -3.227575 -0.051136 -1.245261
N 0.026634 0.938418 -1.859193
C -0.525459 0.368029 -0.569115
C 0.548495 1.481788 -0.546228
C -1.927308 0.837941 -0.184528
C -0.164378 -1.072508 -0.297737
C 1.983988 1.248614 -0.193987
C 0.194236 -1.495565 1.006097
C -0.200216 -2.019398 -1.349248
C -3.919525 1.593802 1.679327
C -4.709403 1.003096 -0.706087
C 2.522923 1.875308 0.959571
C 2.815880 0.411384 -0.978227
C -4.998387 0.931421 0.803964
C 0.498803 -2.851613 1.255865
C 0.100735 -3.376316 -1.099809
C 3.870267 1.665431 1.326699
C 4.163539 0.204275 -0.612556
C 0.448876 -3.796757 0.205116
C 4.695510 0.827047 0.541025
H 0.156074 2.455539 -0.214469
H -0.644933 1.581793 -2.319664
H -2.034290 1.916550 -0.410950
H 0.251904 -0.764126 1.820199
H -0.448453 -1.678179 -2.359835
H -3.730076 2.636574 1.362611
H -4.220036 1.599728 2.740618
H -5.553761 0.600259 -1.290308
H -4.524770 2.044768 -1.029423
H 1.886010 2.527230 1.571058
H 2.392567 -0.055067 -1.873260
H -5.130354 -0.122838 1.108822
H -5.960031 1.454183 0.993843
H 0.781277 -3.168721 2.265964
H 0.067278 -4.102454 -1.919964
H 4.276263 2.155177 2.219227
H 4.799994 -0.443562 -1.226066
H 0.686534 -4.848942 0.399775
H 5.741945 0.664270 0.823265


