%chk=000252987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252987

0 1
Cl -1.136279 -2.563796 -0.083950
O 1.769622 -2.141306 -0.114736
N -2.427565 0.251146 -0.521877
N -3.008829 1.258300 0.239921
N 1.754850 0.172386 -0.117148
N 1.083936 1.344454 -0.148558
C -3.256510 -0.727812 -1.193333
C -5.131298 -0.049869 0.299255
C -1.031709 0.131143 -0.330210
C -4.258517 1.146733 0.606646
C -4.549763 -0.843892 -0.828802
C -2.678673 -1.416969 -2.381848
C -0.356756 -1.060549 -0.218661
C -0.226840 1.351014 -0.255673
C -4.865426 2.271476 1.377682
C 1.102031 -1.133010 -0.146735
C 3.204898 0.303357 0.013641
C 4.037816 -0.605906 -0.658668
C 3.745649 1.331481 0.804569
C 5.422662 -0.478026 -0.530077
C 5.133224 1.445011 0.913147
C 5.972800 0.544205 0.249846
H -6.166719 0.266773 0.055063
H -5.218095 -0.684081 1.211096
H -5.232519 -1.503987 -1.354456
H -1.609176 -1.220661 -2.545197
H -3.195487 -1.095446 -3.300683
H -2.791922 -2.510548 -2.310277
H -0.729285 2.331352 -0.282862
H -4.126576 3.046168 1.644182
H -5.312516 1.914723 2.316674
H -5.654701 2.769166 0.794769
H 3.613788 -1.417148 -1.254924
H 3.094150 2.037074 1.320807
H 6.075550 -1.184030 -1.043032
H 5.561013 2.240851 1.522040
H 7.053175 0.637225 0.342471


%chk=000252987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252987

0 1
Cl -1.151880 -2.840554 0.083808
O 1.805432 -2.363137 0.045124
N -2.454405 0.032196 -0.229738
N -3.009986 1.150883 0.476376
N 1.756134 0.017816 -0.026944
N 1.052994 1.210996 0.009188
C -3.248685 -0.643235 -1.216020
C -5.161460 -0.089198 0.274874
C -1.051323 -0.048936 -0.129918
C -4.308270 1.112605 0.680302
C -4.599590 -0.649930 -1.016296
C -2.572976 -1.104878 -2.488767
C -0.331826 -1.241981 -0.068035
C -0.273975 1.168539 -0.038922
C -4.949242 2.290929 1.367686
C 1.131087 -1.295653 -0.021385
C 3.199618 0.188065 0.026296
C 4.081861 -0.786230 -0.505706
C 3.716483 1.381331 0.592675
C 5.474188 -0.555874 -0.462066
C 5.108861 1.594417 0.630026
C 5.997381 0.627779 0.104024
H -6.220377 0.203411 0.170070
H -5.119443 -0.840660 1.095615
H -5.269119 -1.009641 -1.801000
H -1.972114 -0.291800 -2.936965
H -3.343103 -1.408907 -3.216605
H -1.905651 -1.968330 -2.327814
H -0.786922 2.130608 -0.006663
H -4.190725 3.031608 1.665631
H -5.504186 1.959933 2.266526
H -5.682103 2.781004 0.698294
H 3.691585 -1.712845 -0.925727
H 3.023409 2.128876 0.984114
H 6.150009 -1.313118 -0.874117
H 5.498786 2.516789 1.074261
H 7.079534 0.794124 0.137897


