%chk=000245079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245079

0 1
Cl 5.470782 -3.202290 0.546705
N -4.220261 -0.918477 -0.909456
N 0.026937 0.872127 0.669134
N 4.082727 1.622066 -0.320838
C -3.503579 0.312533 -0.477494
C -1.075306 1.835384 0.389787
C -2.293905 0.495819 -1.422255
C -3.021740 0.273883 0.993266
C -1.527141 1.776174 -1.085441
C -2.245309 1.542359 1.353042
C -5.662558 -0.995240 -0.531044
C 1.343220 1.116297 0.286586
C -5.898069 -1.325249 0.953401
C -6.316735 -2.059314 -1.424342
C 2.312133 0.036510 0.359023
C 1.785918 2.384210 -0.097895
C 3.669310 0.348805 0.047757
C 1.983356 -1.302426 0.724514
C 3.157507 2.585786 -0.382395
C 4.668426 -0.679449 0.108043
C 2.943727 -2.282951 0.779800
C 4.289085 -1.944951 0.465802
H -4.194581 1.186002 -0.606124
H -0.687667 2.869302 0.606445
H -2.650982 0.529617 -2.471581
H -1.624628 -0.382296 -1.372343
H -2.400563 -0.622253 1.170212
H -3.898095 0.164522 1.668480
H -0.647094 1.870345 -1.752823
H -2.159879 2.659493 -1.301042
H -2.929858 2.414219 1.343545
H -1.866857 1.470685 2.392691
H -3.718712 -1.763746 -0.630648
H -0.270355 -0.099559 0.755725
H -6.127330 0.001185 -0.756428
H -6.966525 -1.317897 1.192996
H -5.517567 -2.316549 1.218633
H -5.407073 -0.594401 1.610960
H -6.113401 -1.854798 -2.484187
H -7.402223 -2.076138 -1.288015
H -5.939361 -3.065464 -1.214995
H 1.103710 3.223693 -0.171624
H 0.948166 -1.548300 0.966538
H 3.511853 3.583179 -0.677129
H 5.701576 -0.417951 -0.133328
H 2.699321 -3.306796 1.058244


%chk=000245079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245079

0 1
Cl 5.729723 -3.193822 0.598660
N -4.227492 -0.941570 -0.816568
N 0.063913 0.826431 0.638625
N 4.100114 1.582978 -0.608856
C -3.512640 0.258538 -0.331820
C -1.047295 1.798876 0.568942
C -2.377515 0.651195 -1.313614
C -2.924622 0.106599 1.102689
C -1.628985 1.928876 -0.868746
C -2.161882 1.377094 1.558382
C -5.706931 -0.999168 -0.741253
C 1.359551 1.067060 0.222049
C -6.298655 -0.945279 0.697654
C -6.185795 -2.265010 -1.482779
C 2.374640 0.024520 0.326225
C 1.769137 2.314488 -0.306621
C 3.721490 0.343637 -0.103352
C 2.110819 -1.289137 0.826718
C 3.122479 2.511097 -0.690744
C 4.742878 -0.658215 -0.013022
C 3.115434 -2.258990 0.909594
C 4.428781 -1.917825 0.482788
H -4.248148 1.091423 -0.312212
H -0.652412 2.784169 0.890286
H -2.812941 0.787422 -2.319802
H -1.663298 -0.193744 -1.391790
H -2.250067 -0.778599 1.106229
H -3.730551 -0.121271 1.824321
H -0.817878 2.160632 -1.583621
H -2.325499 2.792721 -0.879883
H -2.882789 2.214458 1.632424
H -1.731496 1.235607 2.568964
H -3.778693 -1.823660 -0.537461
H -0.159840 -0.092992 1.015957
H -6.086428 -0.114612 -1.293975
H -7.404900 -0.953021 0.667424
H -5.965084 -1.818852 1.290618
H -5.983472 -0.027002 1.226516
H -5.807091 -2.269374 -2.519282
H -7.288924 -2.318301 -1.504999
H -5.816112 -3.178605 -0.975912
H 1.064832 3.140707 -0.425558
H 1.106702 -1.578371 1.159940
H 3.424813 3.486686 -1.091736
H 5.748832 -0.389153 -0.343899
H 2.903694 -3.260942 1.292402


