%chk=000227572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227572

0 1
Cl 4.445247 -0.508373 0.036687
N -0.517266 -0.939848 -0.049667
N 1.527220 -2.011939 -0.080896
N 0.334476 1.427331 0.087712
N 2.778527 1.525627 0.124123
C -1.992465 -0.786504 -0.060231
C -2.487400 0.061398 -1.252921
C -2.518662 -0.069743 1.203007
C -3.812660 0.681476 -0.778003
C -3.832007 0.599719 0.763295
C 0.455432 0.060937 0.016239
C 0.198236 -2.178298 -0.106736
C 1.735494 -0.629423 -0.004339
C 2.888712 0.185589 0.053916
C 1.511573 2.087962 0.138018
H -2.426591 -1.818541 -0.120866
H -2.610179 -0.542047 -2.164859
H -1.759431 0.860061 -1.500284
H -1.798094 0.696741 1.552686
H -2.664107 -0.766788 2.041955
H -4.675824 0.145204 -1.207937
H -3.897059 1.727668 -1.119586
H -3.925575 1.604116 1.211372
H -4.705348 0.022777 1.112403
H -0.315528 -3.130182 -0.164183
H 1.480080 3.189679 0.196493


%chk=000227572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227572

0 1
Cl 4.552761 -0.659500 0.025453
N -0.499372 -0.903579 -0.048620
N 1.498641 -2.062653 -0.088532
N 0.398589 1.412068 0.092936
N 2.844472 1.449554 0.124382
C -1.963092 -0.680556 -0.054352
C -2.470523 0.189655 -1.234507
C -2.497990 0.065723 1.196149
C -3.909952 0.585706 -0.798844
C -3.928172 0.503962 0.771418
C 0.510732 0.057780 0.018359
C 0.156058 -2.144034 -0.106385
C 1.748431 -0.684882 -0.008642
C 2.913392 0.111098 0.049598
C 1.604348 2.043356 0.143462
H -2.422740 -1.687101 -0.111173
H -2.439125 -0.344962 -2.199492
H -1.826697 1.083603 -1.313277
H -1.858884 0.947770 1.378182
H -2.486156 -0.563367 2.102838
H -4.652172 -0.111955 -1.227508
H -4.169895 1.594404 -1.162513
H -4.198451 1.469722 1.231326
H -4.678515 -0.234207 1.108263
H -0.401759 -3.077260 -0.164823
H 1.592875 3.134254 0.203699


