%chk=000198083.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198083

0 1
Cl 4.177192 2.970592 -1.237230
Cl 5.690905 -0.858246 1.401828
O -3.970300 0.514764 0.013255
O -5.526957 -0.993424 0.664577
N 2.777501 0.173380 0.195549
C 1.434785 -0.182342 -0.082245
C 3.080669 1.496104 0.787651
C 3.881777 -0.434571 -0.589865
C -1.242597 -1.001846 -0.485785
C -2.663529 -1.447153 -0.681135
C 1.136580 -1.305217 -0.888491
C 0.364619 0.526156 0.517001
C -0.185176 -1.702244 -1.081409
C -0.948184 0.112413 0.315908
C 2.794982 2.684998 -0.132819
C 4.531697 -1.556338 0.223083
C -3.594306 -0.321400 -1.126031
C -4.962500 0.057668 0.854065
C -5.170921 1.054560 1.940114
H 4.148397 1.498389 1.120868
H 2.479636 1.604431 1.724731
H 4.642104 0.333291 -0.869667
H 3.510606 -0.846300 -1.559526
H -3.046852 -1.890496 0.266646
H -2.720331 -2.273933 -1.420243
H 1.932617 -1.872653 -1.363796
H 0.554423 1.384586 1.154657
H -0.390656 -2.571869 -1.705643
H -1.768964 0.665833 0.780783
H 1.898363 2.521761 -0.763418
H 2.646187 3.615900 0.445853
H 3.784312 -2.135386 0.801712
H 5.100939 -2.250153 -0.421579
H -3.099988 0.420427 -1.779593
H -4.516616 -0.708501 -1.594230
H -6.226218 1.367792 1.983805
H -4.554831 1.957885 1.808307
H -4.923063 0.618543 2.921012


%chk=000198083-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198083

0 1
Cl 4.275848 2.932248 -1.549639
Cl 5.022559 -1.144154 2.034731
O -4.046090 0.475564 0.109117
O -5.705016 -1.069396 0.673530
N 2.856451 0.340815 -0.017723
C 1.520693 -0.074093 -0.205595
C 3.169458 1.591364 0.683468
C 3.976028 -0.472463 -0.507070
C -1.225805 -0.927863 -0.588057
C -2.654989 -1.422056 -0.782339
C 1.201879 -1.276442 -0.910019
C 0.419660 0.687668 0.296783
C -0.135707 -1.677453 -1.094868
C -0.911101 0.263284 0.114887
C 2.987183 2.861803 -0.160469
C 4.309385 -1.692606 0.365205
C -3.708582 -0.345871 -1.098290
C -5.069694 -0.021497 0.928855
C -5.262062 0.873200 2.134284
H 4.207704 1.539974 1.050996
H 2.535061 1.692411 1.588562
H 4.868345 0.169123 -0.594603
H 3.765368 -0.836918 -1.534088
H -3.005130 -1.987959 0.104667
H -2.672690 -2.145435 -1.621740
H 1.991418 -1.907286 -1.328524
H 0.589659 1.620176 0.843192
H -0.331901 -2.604510 -1.649308
H -1.722845 0.875415 0.522640
H 2.015195 2.899230 -0.672414
H 3.155771 3.773108 0.434868
H 3.423537 -2.292535 0.617372
H 5.093687 -2.316943 -0.091196
H -3.338762 0.394462 -1.825334
H -4.641620 -0.814982 -1.456721
H -6.245565 0.677946 2.586490
H -5.171646 1.934525 1.853040
H -4.479382 0.655548 2.884012


