%chk=000246374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246374

0 1
Cl -0.807655 3.194390 0.310392
N 4.116018 0.070883 0.196794
N -0.437598 0.797943 -0.905152
N 2.865554 -1.658907 -0.875324
N 1.378680 1.605215 0.285018
N 0.562539 -1.376428 -1.655784
C 5.029094 -0.687060 1.095306
C 4.314841 0.560540 1.588468
C 2.887247 -0.434841 -0.271968
C 1.704478 0.362965 -0.281455
C 0.571190 -0.164185 -1.010731
C -1.817769 0.687043 -1.414645
C 0.109476 1.834255 -0.084463
C -2.713483 0.022057 -0.396785
C 1.727753 -2.058798 -1.543253
C -3.519760 0.798343 0.446679
C -2.733154 -1.376493 -0.298139
C -4.355456 0.173480 1.376761
C -3.569504 -1.994919 0.634773
C -4.382757 -1.221812 1.470300
H 6.088461 -0.651164 0.816904
H 4.747067 -1.676996 1.464614
H 3.507493 0.494112 2.322968
H 4.846286 1.516380 1.669520
H -1.793973 0.092963 -2.364834
H -2.187298 1.704781 -1.684613
H 1.782612 -3.048376 -2.029288
H -3.492723 1.885302 0.384870
H -2.088981 -1.978562 -0.943336
H -4.983974 0.775426 2.031329
H -3.585836 -3.081296 0.711608
H -5.034868 -1.706239 2.195368


%chk=000246374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246374

0 1
Cl -0.758862 3.296443 0.380519
N 4.133956 0.023918 0.208259
N -0.397825 0.819689 -0.810766
N 2.888540 -1.632120 -0.947441
N 1.455417 1.646006 0.288253
N 0.541157 -1.331640 -1.614030
C 5.107316 -0.732693 1.018106
C 4.431487 0.541431 1.561320
C 2.932382 -0.411730 -0.311420
C 1.753403 0.389920 -0.284571
C 0.615297 -0.139723 -0.961293
C -1.780996 0.697084 -1.332423
C 0.183262 1.844787 -0.051203
C -2.740587 0.022314 -0.357065
C 1.727046 -2.013459 -1.557880
C -3.706484 0.781568 0.347226
C -2.678720 -1.381148 -0.159624
C -4.599382 0.149070 1.242308
C -3.568357 -2.011742 0.736811
C -4.530837 -1.248769 1.439720
H 6.146519 -0.689577 0.678260
H 4.782282 -1.701807 1.413952
H 3.657370 0.426983 2.328974
H 4.991127 1.480543 1.599746
H -1.694354 0.106906 -2.261875
H -2.128761 1.711414 -1.592307
H 1.745313 -2.990803 -2.049479
H -3.758345 1.866785 0.199038
H -1.931840 -1.967104 -0.708821
H -5.344385 0.743757 1.782264
H -3.515675 -3.096098 0.884309
H -5.222464 -1.740204 2.133033


