%chk=000250935.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250935

0 1
Cl 5.784578 -1.699126 0.279918
N -2.730772 -1.157916 0.411060
N 0.066453 2.080051 -1.379968
C -4.148902 -0.765266 0.714390
C -2.746301 -2.658947 0.373870
C -5.081096 -1.895157 0.222482
C -4.175170 -3.121532 0.009084
C -2.253828 -0.557286 -0.878614
C -0.730779 -0.713954 -1.014569
C 0.032187 0.073197 0.071483
C 1.484813 -0.355880 0.114748
C -0.059655 1.578052 -0.119841
C 1.977441 -1.006185 1.257047
C 2.338614 -0.126601 -0.976693
C -0.262864 2.417502 0.997021
C 3.309644 -1.425267 1.315549
C 3.671599 -0.539316 -0.932210
C -0.334769 3.796852 0.803470
C 4.135360 -1.183859 0.216820
C -0.006988 3.426454 -1.550807
C -0.206756 4.319552 -0.488108
H -4.413462 0.213881 0.278326
H -4.215373 -0.655450 1.817952
H -2.470596 -3.003946 1.392857
H -1.987439 -3.064451 -0.319290
H -5.875314 -2.102385 0.957020
H -5.588625 -1.611286 -0.713799
H -4.224129 -3.472121 -1.034664
H -4.489315 -3.969932 0.637473
H -2.752221 -0.994966 -1.769792
H -2.510427 0.525736 -0.874145
H -0.419801 -0.370630 -2.022834
H -0.446542 -1.782942 -0.951655
H -0.458458 -0.178121 1.055713
H 1.321124 -1.190961 2.107231
H 1.956372 0.384970 -1.864560
H -0.361682 1.991626 1.992758
H 3.695108 -1.929615 2.200447
H 4.337001 -0.361219 -1.776074
H -0.489264 4.463037 1.652144
H 0.101169 3.781807 -2.581945
H -0.258337 5.389702 -0.665291


%chk=000250935-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250935

0 1
Cl 6.026186 -1.691469 0.170916
N -2.708677 -1.149285 0.461829
N 0.066497 2.030641 -1.364493
C -4.088133 -0.689202 0.797383
C -2.824860 -2.637868 0.539397
C -5.067327 -1.678559 0.082602
C -4.259215 -3.015774 0.011860
C -2.218741 -0.661241 -0.861841
C -0.687097 -0.793782 -0.998576
C 0.081285 0.015940 0.086067
C 1.564417 -0.373811 0.111097
C -0.105276 1.523132 -0.101240
C 2.091079 -1.103154 1.206575
C 2.429868 -0.052833 -0.968148
C -0.430705 2.360143 0.996486
C 3.445566 -1.509300 1.236831
C 3.785408 -0.447504 -0.955854
C -0.572437 3.750453 0.794235
C 4.271661 -1.172571 0.149241
C -0.072066 3.374746 -1.548339
C -0.388635 4.274870 -0.505853
H -4.229474 0.365163 0.504874
H -4.223120 -0.760004 1.894783
H -2.720876 -2.946914 1.596924
H -2.014809 -3.121741 -0.031819
H -6.018725 -1.788852 0.632080
H -5.308354 -1.313794 -0.932147
H -4.219439 -3.402400 -1.021517
H -4.713244 -3.802375 0.640098
H -2.701880 -1.190056 -1.719479
H -2.497198 0.405910 -0.947038
H -0.384225 -0.437948 -2.000675
H -0.389830 -1.857447 -0.919600
H -0.372078 -0.257210 1.057324
H 1.438102 -1.362439 2.048620
H 2.037285 0.522717 -1.813652
H -0.569418 1.919146 1.989040
H 3.845717 -2.071673 2.085653
H 4.449923 -0.196462 -1.787952
H -0.822662 4.410771 1.631715
H 0.076537 3.734543 -2.573570
H -0.488431 5.345594 -0.709834


