%chk=000210821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210821

0 1
S -2.722239 -0.773962 2.096615
N -0.552847 -0.551442 -0.560415
N 2.285691 -0.020445 -0.226294
C -1.919446 -0.625743 -1.165809
C 0.462362 -1.271679 -1.363919
C -0.061686 0.820567 -0.287721
C -2.455256 -2.095883 -1.155409
C 1.811551 -1.355652 -0.624785
C 1.253166 0.755279 0.502997
C -2.905448 0.379868 -0.552628
C -2.258554 -2.883083 0.158645
C -3.326496 0.398712 0.810222
C -3.163328 -2.447751 1.320116
C 3.651634 0.163744 0.064706
C -3.442390 1.370077 -1.418254
C -4.221734 1.397150 1.268493
C -4.338117 2.363237 -0.965890
C 4.565881 -0.919251 0.006187
C 4.172847 1.451307 0.387772
C -4.722534 2.384481 0.392390
C 5.932170 -0.720137 0.240439
C 5.535848 1.635830 0.629210
C 6.437590 0.556708 0.556283
H -1.853268 -0.342451 -2.250015
H 0.621371 -0.769070 -2.353861
H 0.121857 -2.302859 -1.561502
H -0.807345 1.362573 0.315652
H 0.105072 1.396613 -1.234236
H -1.954969 -2.654447 -1.970451
H -3.529272 -2.066575 -1.425073
H 1.699997 -2.025681 0.260070
H 2.545593 -1.813004 -1.312692
H 1.609708 1.780004 0.684902
H 1.043530 0.283261 1.489492
H -2.465349 -3.955418 -0.042866
H -1.203713 -2.802063 0.478904
H -4.224912 -2.397297 1.020801
H -3.072096 -3.146290 2.170973
H -3.132376 1.365179 -2.470439
H -4.532998 1.381552 2.318207
H -4.725574 3.112168 -1.665087
H 4.212384 -1.935333 -0.200720
H 3.512322 2.322752 0.425293
H -5.414370 3.147472 0.765666
H 6.609443 -1.580927 0.188588
H 5.901720 2.641417 0.868538
H 7.505680 0.706898 0.744204


%chk=000210821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210821

0 1
S -2.742978 -0.816178 2.091791
N -0.560078 -0.551756 -0.547843
N 2.286092 -0.029005 -0.228035
C -1.921642 -0.617274 -1.164654
C 0.450965 -1.304883 -1.326326
C -0.056852 0.824083 -0.319977
C -2.463121 -2.084256 -1.182241
C 1.798263 -1.373438 -0.582992
C 1.258927 0.779737 0.470865
C -2.908044 0.381334 -0.539943
C -2.281555 -2.894557 0.120305
C -3.329533 0.384001 0.822784
C -3.192199 -2.471624 1.282160
C 3.660310 0.160175 0.063446
C -3.441211 1.384320 -1.393154
C -4.218187 1.382437 1.294198
C -4.331804 2.376190 -0.928202
C 4.589083 -0.926603 0.043699
C 4.179355 1.461990 0.349152
C -4.713719 2.383611 0.431000
C 5.964162 -0.712452 0.278467
C 5.552257 1.660409 0.590980
C 6.464402 0.578744 0.555459
H -1.846790 -0.314895 -2.243550
H 0.614224 -0.836516 -2.332328
H 0.104338 -2.339791 -1.489736
H -0.798942 1.391282 0.264772
H 0.111949 1.365859 -1.286363
H -1.962942 -2.631832 -2.004631
H -3.535727 -2.043523 -1.455905
H 1.679876 -2.013123 0.323366
H 2.527455 -1.859477 -1.254352
H 1.621549 1.809267 0.611319
H 1.049051 0.348547 1.475805
H -2.494676 -3.961750 -0.100847
H -1.229404 -2.827935 0.452108
H -4.250944 -2.407666 0.975442
H -3.113210 -3.185897 2.121123
H -3.130966 1.391271 -2.445307
H -4.529812 1.355004 2.343586
H -4.716729 3.135046 -1.618039
H 4.243853 -1.949356 -0.131243
H 3.515448 2.331826 0.357563
H -5.400419 3.146180 0.814506
H 6.646192 -1.570926 0.257069
H 5.913601 2.674389 0.799871
H 7.531231 0.739416 0.742132


