%chk=000184138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184138

0 1
Cl 4.094872 1.939244 -1.909776
N -0.213778 1.588386 0.555193
N 1.069587 -0.423623 0.389174
N 2.526298 -2.297547 0.182040
N 1.815919 1.693794 -0.626414
N 3.233330 -0.273923 -0.787583
C -1.346945 0.901896 1.242992
C -2.402046 0.547706 0.206215
C -1.865233 1.814514 2.356075
C -2.330488 -0.709562 -0.414005
C -3.415446 1.442594 -0.159236
C 0.895153 0.920761 0.098004
C -3.274261 -1.071325 -1.377915
C -4.359557 1.076989 -1.124149
C -4.292330 -0.179610 -1.732692
C 2.257101 -0.978370 -0.065741
C 1.583556 -3.159712 0.945028
C 2.189191 -4.541746 1.145815
C 2.935480 1.031701 -1.021374
H -0.957160 -0.047811 1.714579
H -2.729798 1.358173 2.855810
H -1.094111 1.984825 3.119458
H -2.182880 2.798939 1.993032
H -0.354276 2.553643 0.250851
H -1.526032 -1.399177 -0.151076
H -3.475158 2.425950 0.303688
H -3.214527 -2.047216 -1.856857
H -5.146813 1.775336 -1.403186
H -5.027598 -0.462387 -2.483796
H 1.355030 -2.675028 1.924941
H 0.616604 -3.221037 0.390965
H 3.399110 -2.697393 -0.160084
H 2.391908 -5.051046 0.194682
H 3.130174 -4.505482 1.710606
H 1.501825 -5.184755 1.712237


%chk=000184138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184138

0 1
Cl 4.349683 1.675315 -1.971815
N -0.302940 1.101664 -0.161658
N 1.227684 -0.609441 0.390537
N 2.871491 -2.243261 0.808216
N 1.874937 1.319118 -0.973939
N 3.510259 -0.400175 -0.477552
C -1.416436 0.498613 0.607377
C -2.709925 0.588487 -0.218009
C -1.495371 1.113532 2.022369
C -2.701027 0.118014 -1.558797
C -3.920667 1.097530 0.311860
C 0.956102 0.579114 -0.237139
C -3.869495 0.155240 -2.348035
C -5.094426 1.136159 -0.477390
C -5.074484 0.665622 -1.808587
C 2.511859 -1.059954 0.233941
C 1.958917 -3.086294 1.598593
C 2.664447 -4.385336 2.020004
C 3.093564 0.753274 -1.027136
H -1.138740 -0.566769 0.719694
H -2.251593 0.594497 2.638365
H -0.517242 1.004091 2.520480
H -1.749574 2.188350 1.986076
H -0.443593 1.997044 -0.635234
H -1.768183 -0.273577 -1.981875
H -3.958537 1.468772 1.341031
H -3.842614 -0.212113 -3.380028
H -6.022072 1.534857 -0.051274
H -5.983596 0.696656 -2.419347
H 1.613174 -2.523333 2.487196
H 1.057467 -3.307104 0.996434
H 3.842255 -2.528800 0.667037
H 2.984096 -4.971969 1.139358
H 3.553445 -4.176895 2.643658
H 1.977838 -5.013226 2.613091


