%chk=000134531.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000134531

0 1
Cl 5.315916 0.012905 0.033547
N -2.754410 -1.215191 0.054525
N -2.771618 1.245510 -0.032014
N -0.773955 2.452829 -0.191364
N -4.778283 0.010802 0.128761
C -0.656102 0.002534 0.008276
C 0.811801 0.000541 0.013297
C -1.394592 -1.202096 0.050136
C -1.393339 1.221558 -0.054213
C 1.521318 0.171546 -1.188447
C 1.511386 -0.166171 1.221424
C -0.718628 -2.530565 0.082924
C 2.917552 0.175273 -1.187801
C 2.907667 -0.164406 1.232877
C -3.399401 0.016726 0.033207
C 3.588874 0.007231 0.025565
H 0.974611 0.298150 -2.123165
H 0.958427 -0.297841 2.151189
H -1.439956 -3.364699 0.085241
H -0.061736 -2.663118 -0.790347
H -0.091257 -2.635288 0.980923
H 3.473782 0.304471 -2.116033
H 3.456475 -0.294748 2.165288
H 0.213440 2.539074 -0.014032
H -1.327784 3.293690 -0.110550
H -5.289095 0.863968 -0.036339
H -5.273592 -0.862486 0.031624


%chk=000134531-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134531

0 1
Cl 5.487051 0.086966 -0.043861
N -2.802563 -1.198649 0.193675
N -2.784688 1.218735 -0.180933
N -0.802657 2.420436 -0.329885
N -4.787942 0.025658 0.006958
C -0.663389 -0.021588 0.002336
C 0.827831 -0.001963 -0.005765
C -1.431585 -1.205467 0.187873
C -1.418809 1.195244 -0.175677
C 1.545608 0.473310 -1.141303
C 1.580787 -0.448734 1.115869
C -0.802482 -2.570807 0.373245
C 2.957684 0.503361 -1.162265
C 2.992877 -0.429076 1.112442
C -3.411101 0.016896 0.007037
C 3.661864 0.051030 -0.029681
H 0.992722 0.796736 -2.030492
H 1.053884 -0.806602 2.006952
H -1.454313 -3.331006 -0.086636
H 0.206417 -2.629427 -0.065553
H -0.721860 -2.819528 1.448652
H 3.496547 0.859983 -2.045085
H 3.558684 -0.773572 1.983024
H 0.207955 2.515102 -0.280662
H -1.397249 3.241318 -0.419748
H -5.281235 0.903587 -0.126101
H -5.282535 -0.851742 0.140081


