%chk=000211528.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211528

0 1
Cl 5.397453 0.609048 2.724227
O 0.925921 -1.859515 -1.595947
N -0.874076 -0.496546 -1.268870
N -1.466160 0.634176 -0.848415
N -3.187669 -4.316957 1.092279
C 1.308772 0.233460 -0.432807
C -1.796405 -1.504615 -1.880046
C 0.529074 -0.808997 -1.126014
C -0.719303 1.566565 -0.261312
C 0.698512 1.383771 -0.031229
C 2.741671 -0.022391 -0.192641
C -2.282598 -2.478524 -0.832736
C -1.387478 2.816023 0.170285
C 3.320747 0.360643 1.030104
C 3.534668 -0.637119 -1.177025
C -0.861477 4.056091 -0.226504
C -2.535068 2.761873 0.975486
C -3.567656 -2.358628 -0.289768
C -1.450209 -3.519296 -0.400072
C 4.683045 0.133757 1.225028
C 4.897209 -0.851309 -0.952932
C -1.481133 5.235939 0.191341
C -3.147560 3.948259 1.389286
C 5.488763 -0.463181 0.253143
C -2.621772 5.184069 1.000379
C -3.980954 -3.299779 0.667938
C -1.939997 -4.415723 0.561927
H -1.229060 -2.042278 -2.682783
H -2.646949 -0.978043 -2.374700
H 1.248614 2.183050 0.473230
H 2.719510 0.812014 1.818771
H 3.077828 -0.968371 -2.113429
H 0.019266 4.099541 -0.865102
H -2.947816 1.797414 1.271853
H -4.231557 -1.552049 -0.592038
H -0.436962 -3.621752 -0.798592
H 5.503680 -1.329059 -1.723290
H -1.075826 6.199151 -0.116060
H -4.037890 3.907588 2.015725
H 6.550475 -0.627336 0.433886
H -3.100854 6.106547 1.324994
H -4.978772 -3.247909 1.119246
H -1.324808 -5.245502 0.930387


%chk=000211528-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211528

0 1
Cl 5.678041 1.356063 2.333748
O 0.948289 -1.981828 -1.598526
N -0.852108 -0.543426 -1.226343
N -1.470361 0.602956 -0.804558
N -3.363125 -4.324752 1.177706
C 1.360508 0.182828 -0.498155
C -1.771607 -1.555722 -1.824986
C 0.541175 -0.863308 -1.143643
C -0.691124 1.551698 -0.237001
C 0.722401 1.348962 -0.079267
C 2.817874 -0.024683 -0.292181
C -2.323465 -2.520230 -0.782350
C -1.380657 2.792821 0.210186
C 3.479429 0.647284 0.777603
C 3.588811 -0.859991 -1.150321
C -0.663078 3.999768 0.431050
C -2.787288 2.788885 0.419837
C -3.579025 -2.290432 -0.169179
C -1.596594 -3.673264 -0.393057
C 4.862922 0.491232 0.946681
C 4.979880 -0.993335 -0.956971
C -1.332539 5.167053 0.857260
C -3.453984 3.955109 0.844148
C 5.639974 -0.317512 0.094398
C -2.729884 5.150632 1.068237
C -4.053753 -3.209534 0.794384
C -2.150990 -4.535177 0.579702
H -1.191126 -2.100985 -2.585691
H -2.583053 -0.983463 -2.300131
H 1.311998 2.142542 0.387114
H 2.917527 1.252816 1.494647
H 3.088839 -1.408419 -1.950426
H 0.416327 4.047767 0.250085
H -3.340507 1.860747 0.248824
H -4.179068 -1.413233 -0.435187
H -0.617107 -3.882030 -0.834698
H 5.560568 -1.634945 -1.627791
H -0.763868 6.089398 1.018020
H -4.537173 3.932709 1.006656
H 6.716923 -0.423772 0.252454
H -3.247956 6.056381 1.401645
H -5.023401 -3.058934 1.282738
H -1.613447 -5.434576 0.900542


