%chk=000190807.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190807

0 1
Cl 0.230255 -1.330474 1.489026
O 3.252842 -0.259287 -1.670261
O 1.177222 0.342633 -0.793377
O 3.450368 2.458667 1.450664
O 4.508990 -0.188252 1.809928
O 3.456591 2.878629 -1.732621
O 3.906987 -3.165238 -1.010913
O -6.129900 0.422755 -0.537462
N -4.710588 -0.100781 1.244515
N -7.041597 0.274435 1.559570
C 3.808844 1.620677 0.346415
C 3.623635 0.137540 0.743174
C 2.835947 2.019670 -0.784580
C 3.835162 -0.798539 -0.461077
C 2.288436 0.787466 -1.551982
C 3.222955 -2.188749 -0.223358
C 0.328537 -0.649577 -1.445828
C -1.000762 -0.513435 -0.772272
C -1.146573 -0.796746 0.592024
C -2.135840 -0.080506 -1.477745
C -2.361367 -0.674588 1.259756
C -3.370138 0.048068 -0.847146
C -3.488123 -0.242725 0.525793
C -5.962284 0.230274 0.652709
H 4.862002 1.855213 0.075580
H 2.611391 -0.004898 1.209576
H 2.001264 2.647675 -0.372185
H 4.912348 -0.894381 -0.736783
H 2.043932 0.997659 -2.615369
H 2.137924 -2.198544 -0.466781
H 3.383507 -2.539847 0.815829
H 3.752990 2.048534 2.297621
H 5.445460 -0.199068 1.515997
H 4.247996 2.454952 -2.133839
H 0.809375 -1.637382 -1.256293
H 0.287611 -0.459721 -2.531807
H 3.788401 -2.968910 -1.966223
H -2.053062 0.160348 -2.539688
H -2.426783 -0.903894 2.321553
H -4.246669 0.376636 -1.420595
H -4.682730 -0.361799 2.232521
H -7.918828 0.627420 1.192234
H -6.910125 0.423087 2.545500


%chk=000190807-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190807

0 1
Cl -0.488853 -3.086008 0.435304
O 3.382723 -0.496051 -1.559404
O 1.171568 0.345535 -0.945678
O 3.315210 2.900886 0.963232
O 4.329181 0.394140 2.027575
O 3.843702 2.439185 -2.334520
O 3.832605 -3.134110 -0.602756
O -5.794396 1.607834 0.278919
N -4.852786 -0.394541 1.120542
N -6.967004 0.332986 1.830728
C 3.752841 1.814992 0.091741
C 3.536708 0.452940 0.779275
C 2.986910 1.933241 -1.253299
C 3.902865 -0.711153 -0.162180
C 2.382341 0.583744 -1.698396
C 3.401462 -2.079240 0.317788
C 0.280031 -0.688248 -1.555835
C -1.050786 -0.631304 -0.851923
C -1.514555 -1.614472 0.050573
C -1.923117 0.467148 -1.077034
C -2.759636 -1.534812 0.693552
C -3.177256 0.592383 -0.455444
C -3.607950 -0.422064 0.444126
C -5.860002 0.586963 1.022089
H 4.843965 1.912381 -0.129529
H 2.494424 0.374017 1.125608
H 2.190144 2.682580 -1.140618
H 5.005138 -0.760627 -0.293453
H 2.185916 0.599510 -2.788987
H 2.297936 -2.058827 0.424271
H 3.851601 -2.325784 1.293423
H 3.638884 2.694154 1.880209
H 5.295902 0.381334 1.796646
H 4.516279 1.740012 -2.548009
H 0.750581 -1.682729 -1.462088
H 0.165140 -0.444550 -2.632448
H 3.555991 -2.853209 -1.514208
H -1.590271 1.254995 -1.762466
H -3.065981 -2.330683 1.381086
H -3.827145 1.446722 -0.648887
H -5.026284 -1.185502 1.743820
H -7.720881 1.014517 1.790318
H -7.057548 -0.463287 2.458136


