%chk=000294265.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294265

0 1
Cl 5.744265 0.633532 0.425938
O 1.463885 -0.535666 -1.001508
N -0.300690 -0.049016 1.159149
N 1.073926 -0.288986 1.297832
N 3.150159 -1.152966 0.468899
C -2.253681 -0.384485 -0.108029
C -1.948998 1.044570 -0.110682
C -1.188762 -1.048871 0.585035
C -0.705375 1.221343 0.580923
C -3.306255 -1.127798 -0.628190
C -2.607705 2.150888 -0.634399
C -1.162694 -2.430362 0.738574
C -0.118393 2.473520 0.729610
C -3.284317 -2.521215 -0.470949
C -2.019965 3.414588 -0.482743
C -2.231022 -3.158578 0.195537
C -0.797485 3.570633 0.183022
C 1.861023 -0.650588 0.140333
C 4.121638 -1.249572 -0.648987
C 4.785086 0.083550 -0.984327
H -4.126624 -0.639360 -1.149245
H -3.556570 2.037020 -1.153474
H -0.350554 -2.933962 1.252629
H 0.829193 2.593184 1.248512
H 1.251424 -0.804639 2.175282
H -4.099523 -3.117130 -0.878186
H -2.521850 4.289456 -0.892466
H -2.237523 -4.243814 0.294517
H -0.362672 4.565294 0.278892
H 3.574925 -0.861349 1.354452
H 4.882228 -2.013340 -0.361589
H 3.591797 -1.637808 -1.557257
H 4.041393 0.872847 -1.216792
H 5.471716 -0.005818 -1.847114


%chk=000294265-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294265

0 1
Cl 6.187358 0.295829 1.076565
O 1.735114 -0.706613 -1.402375
N -0.261377 -0.102966 0.493567
N 1.051262 -0.376838 0.828070
N 3.286675 -0.890852 0.347372
C -2.485930 -0.380025 -0.043235
C -2.174864 1.048032 -0.078194
C -1.276882 -1.070593 0.302767
C -0.784811 1.189009 0.248373
C -3.662025 -1.130549 -0.274618
C -2.935170 2.207712 -0.355467
C -1.209719 -2.470482 0.420466
C -0.142036 2.438870 0.304621
C -3.611139 -2.536545 -0.157450
C -2.304276 3.469585 -0.301824
C -2.398100 -3.197149 0.184531
C -0.923591 3.581835 0.023391
C 2.013536 -0.661187 -0.174001
C 4.415094 -1.182461 -0.537990
C 5.416465 -0.030177 -0.632717
H -4.599379 -0.630834 -0.543018
H -3.997958 2.130626 -0.610306
H -0.271717 -2.977607 0.666998
H 0.922733 2.521489 0.544159
H 1.278713 -0.432329 1.824803
H -4.514093 -3.130420 -0.335634
H -2.880945 4.375879 -0.515909
H -2.383405 -4.290144 0.260668
H -0.456232 4.572511 0.052609
H 3.497593 -0.720022 1.332665
H 4.932732 -2.102968 -0.209891
H 3.991241 -1.362522 -1.544236
H 4.941557 0.917977 -0.922234
H 6.265577 -0.270970 -1.289325


