%chk=000258979.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258979

0 1
Cl 6.734552 0.348144 0.067001
O -5.051510 1.383404 -0.408646
N -2.061878 -0.336466 0.164772
N 0.819788 -0.161388 -0.100081
N -4.047087 1.145964 1.604081
C -3.507494 -0.513015 -0.213031
C -1.228780 -1.564821 -0.044376
C -1.413057 0.810654 -0.555906
C 0.170701 -1.334030 0.563637
C -0.021550 1.065641 0.056784
C -4.118625 -1.704214 0.541921
C -3.756379 -0.659857 -1.718923
C -4.261028 0.763803 0.283897
C 2.226998 -0.020213 0.035476
C 3.041760 -1.148904 0.299932
C 2.851442 1.226687 -0.216872
C 4.429299 -1.035624 0.304532
C 4.238854 1.338114 -0.211855
C 5.014911 0.207005 0.052289
H -1.132785 -1.838088 -1.118724
H -1.703230 -2.424493 0.474624
H -2.036089 1.722766 -0.434885
H -1.311283 0.628632 -1.649579
H 0.087428 -1.183198 1.663388
H 0.791021 -2.244532 0.397373
H 0.458974 1.917057 -0.478132
H -0.120425 1.357044 1.126201
H -3.833557 -1.708597 1.601330
H -3.814051 -2.663307 0.108728
H -5.216115 -1.671941 0.498651
H -3.227798 -1.518214 -2.141516
H -3.459016 0.236645 -2.277514
H -4.828957 -0.788151 -1.927145
H 2.588422 -2.121435 0.487123
H 2.248819 2.108055 -0.433659
H -3.296978 0.755875 2.152444
H -4.478257 1.986540 1.955079
H 5.052740 -1.907968 0.504362
H 4.715420 2.298827 -0.410982


%chk=000258979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258979

0 1
Cl 6.865295 0.419567 0.351213
O -5.412304 1.153772 0.046937
N -2.087272 -0.357235 0.066084
N 0.811803 -0.162351 -0.106522
N -3.651445 1.222054 1.575649
C -3.569368 -0.498414 -0.195322
C -1.263207 -1.576292 -0.119612
C -1.442711 0.741546 -0.701639
C 0.149725 -1.361379 0.450721
C -0.042083 1.044263 -0.145215
C -4.129621 -1.749496 0.538938
C -3.948919 -0.567820 -1.697250
C -4.297036 0.723977 0.465094
C 2.212188 -0.015217 0.044233
C 3.045588 -1.118554 0.415214
C 2.865005 1.236344 -0.194429
C 4.446245 -0.989816 0.502902
C 4.265511 1.367811 -0.107212
C 5.049231 0.251521 0.234495
H -1.181451 -1.854045 -1.198696
H -1.714953 -2.423919 0.420011
H -2.057294 1.655625 -0.624303
H -1.348739 0.479202 -1.781151
H 0.085836 -1.294665 1.561353
H 0.741195 -2.256940 0.197712
H 0.415074 1.797711 -0.807631
H -0.134761 1.494936 0.870492
H -3.766708 -1.795842 1.581182
H -3.854133 -2.683236 0.017210
H -5.231225 -1.690754 0.557713
H -3.482927 -1.449301 -2.174804
H -3.638950 0.338906 -2.243589
H -5.043704 -0.644422 -1.796080
H 2.616888 -2.096588 0.644989
H 2.293129 2.130737 -0.451420
H -2.734760 0.824436 1.802357
H -4.076514 1.972205 2.118154
H 5.057035 -1.852825 0.784506
H 4.735539 2.336899 -0.300487


