%chk=000259339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259339

0 1
Cl -5.702903 -0.018912 1.552623
O -2.085519 -0.069211 -1.261550
N -1.007201 0.714979 0.653050
N 2.962494 -0.619637 -0.192411
N -3.251932 1.347140 0.157587
C 0.310921 0.255363 0.301904
C 1.375714 1.192208 0.288932
C 0.563959 -1.113011 0.060859
C 2.702505 0.694255 0.045105
C 1.928790 -1.503608 -0.195121
C 1.212100 2.610394 0.487414
C -0.441373 -2.147119 0.070447
C 3.821121 1.615896 0.043275
C 2.235884 -2.895485 -0.452744
C 2.285423 3.451095 0.470970
C -0.114405 -3.448838 -0.167943
C 3.613367 2.944170 0.252260
C 1.245553 -3.828575 -0.438827
C -2.112264 0.590523 -0.240361
C -4.502118 1.098856 -0.601930
C -5.227830 -0.172085 -0.167880
H -1.016183 1.491063 1.324647
H 0.208313 3.006480 0.635898
H -1.475646 -1.861596 0.264192
H 4.814199 1.197448 -0.133407
H 3.278118 -3.149201 -0.654532
H 2.163615 4.523505 0.616662
H -0.874045 -4.228833 -0.163406
H 4.442004 3.652498 0.254090
H 1.458072 -4.880256 -0.632109
H -3.405423 1.512662 1.156243
H -5.152879 1.995288 -0.469176
H -4.255745 1.029263 -1.693204
H -6.146862 -0.341410 -0.760346
H -4.586523 -1.071413 -0.264211


%chk=000259339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259339

0 1
Cl -6.024102 0.511798 1.768303
O -2.061307 -0.042519 -1.509254
N -0.984807 0.715151 0.458927
N 3.067396 -0.617009 -0.155105
N -3.283852 1.047433 0.165767
C 0.337900 0.251396 0.201268
C 1.410489 1.196799 0.248345
C 0.625362 -1.128002 -0.026421
C 2.772770 0.697525 0.089763
C 2.025052 -1.504064 -0.225078
C 1.215888 2.611754 0.430640
C -0.368988 -2.167258 -0.027806
C 3.870409 1.624676 0.177471
C 2.349188 -2.884822 -0.473154
C 2.302586 3.480212 0.502742
C -0.014312 -3.493473 -0.252539
C 3.645111 2.980927 0.388365
C 1.355984 -3.857024 -0.491005
C -2.107917 0.523488 -0.380355
C -4.542909 0.994335 -0.578453
C -5.542017 -0.007527 0.002039
H -1.065950 1.440691 1.175359
H 0.200601 3.023023 0.472731
H -1.417110 -1.908834 0.136261
H 4.877462 1.211843 0.064577
H 3.404590 -3.124717 -0.633073
H 2.136163 4.555431 0.630898
H -0.785299 -4.271618 -0.251205
H 4.487637 3.678045 0.451854
H 1.612463 -4.905726 -0.677178
H -3.335800 1.305387 1.153743
H -5.004424 1.998248 -0.625236
H -4.290210 0.678988 -1.608568
H -6.487313 -0.024133 -0.560265
H -5.117431 -1.016528 0.102641


