%chk=000269719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269719

0 1
S -3.351798 1.661415 0.345930
S 4.020712 -0.620856 0.705005
N -1.323750 -0.085864 0.379602
N 1.466112 -0.843683 0.136395
C -0.908037 -1.537711 0.415719
C 0.378040 -1.700500 -0.438553
C -0.220762 0.780225 0.918453
C 1.054729 0.596103 0.077416
C -2.006905 -2.428830 -0.177286
C -2.588317 0.176489 1.100142
C 2.756496 -1.080463 -0.547361
C -3.454863 1.262947 -1.428310
C 5.237675 0.317035 -0.275344
C -4.682189 0.427050 -1.716683
C 4.720418 1.698490 -0.612193
H -0.684363 -1.867641 1.464261
H 0.704950 -2.761076 -0.395191
H 0.155352 -1.461456 -1.500402
H 0.004901 0.565432 1.986742
H -0.548125 1.842343 0.854004
H 0.879670 0.954377 -0.959868
H 1.869659 1.216302 0.513608
H -2.909828 -2.429242 0.445824
H -2.305703 -2.083825 -1.175902
H -1.672117 -3.467552 -0.265812
H -2.482506 0.410518 2.180942
H -3.293235 -0.676863 1.009430
H 2.912715 -0.514035 -1.485443
H 2.887251 -2.159661 -0.774815
H -3.485320 2.233541 -1.960034
H -2.523744 0.746249 -1.741041
H 6.145870 0.372069 0.360195
H 5.521118 -0.246175 -1.182111
H -4.633033 -0.555836 -1.230973
H -5.603548 0.913305 -1.367301
H -4.797875 0.250877 -2.794308
H 3.838275 1.668301 -1.263481
H 4.436322 2.259686 0.289541
H 5.484255 2.293117 -1.131797


%chk=000269719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269719

0 1
S -3.410063 1.795880 0.348812
S 4.087797 -0.641226 0.764894
N -1.343786 -0.122315 0.489919
N 1.401641 -0.785400 -0.002537
C -0.933699 -1.559946 0.437576
C 0.319032 -1.673107 -0.465886
C -0.250481 0.759520 0.969192
C 0.992601 0.627375 0.081483
C -2.040366 -2.480804 -0.113712
C -2.631828 0.199121 1.085676
C 2.720466 -1.026349 -0.543835
C -3.498019 1.250713 -1.462527
C 5.326184 0.297578 -0.327842
C -4.716506 0.369613 -1.778106
C 4.929857 1.760168 -0.579953
H -0.634297 -1.911684 1.456348
H 0.682681 -2.717437 -0.437366
H 0.003461 -1.441503 -1.515189
H 0.029282 0.512523 2.021868
H -0.622084 1.799886 0.939262
H 0.767970 1.047211 -0.930733
H 1.827812 1.201529 0.523216
H -2.861823 -2.638940 0.606220
H -2.463586 -2.064349 -1.046443
H -1.614860 -3.475208 -0.341277
H -2.592270 0.435953 2.171686
H -3.349935 -0.615904 0.924316
H 2.984660 -0.398266 -1.426280
H 2.819501 -2.089656 -0.816661
H -3.511040 2.189001 -2.042966
H -2.542867 0.728430 -1.654991
H 6.282317 0.227487 0.218988
H 5.438733 -0.267018 -1.270564
H -4.704898 -0.559732 -1.179463
H -5.659276 0.900360 -1.558524
H -4.721265 0.081679 -2.847998
H 3.953862 1.829284 -1.094536
H 4.850262 2.313735 0.371788
H 5.683331 2.266400 -1.214856


