%chk=000100183.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000100183

0 1
Cl 0.438318 2.046605 -2.372696
Cl -0.214213 1.250976 2.969547
N 1.615894 -0.112691 0.680200
N -0.752975 -0.623087 0.735101
N 2.028258 -1.847480 -0.903299
N -2.180093 -0.397423 -1.153602
N 4.498234 -2.390584 0.373488
N -4.047161 -2.136575 0.083169
C 0.303119 0.204750 0.079278
C 0.022977 1.689230 0.293108
C 0.020264 2.581075 -0.792403
C -0.269853 2.240522 1.550456
C 2.434260 -1.135549 0.200009
C -1.932281 -0.952497 0.082241
C -0.298143 3.936745 -0.644017
C -0.590512 3.586715 1.732319
C -0.611669 4.435531 0.621170
C 3.688432 -1.423061 0.837851
C -2.891965 -1.832515 0.695351
C 2.864312 -2.814727 -1.353356
C -3.352781 -0.725592 -1.749639
C 4.093972 -3.089851 -0.719853
C -4.284922 -1.588372 -1.139473
H 0.310743 -0.068482 -1.027106
H 1.895152 0.372803 1.528525
H -0.551392 -1.048256 1.635236
H -0.302157 4.596182 -1.514166
H -0.823801 3.971238 2.726460
H -0.869237 5.488633 0.745313
H 4.028554 -0.866363 1.714588
H -2.711501 -2.279611 1.675336
H 2.527296 -3.371466 -2.236438
H -3.533674 -0.278882 -2.734291
H 4.767822 -3.871609 -1.079650
H -5.229876 -1.851727 -1.618957


%chk=000100183-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100183

0 1
Cl 0.331552 2.045590 -2.375704
Cl -0.060792 1.432470 3.219512
N 1.532688 -0.111562 0.779056
N -0.869239 -0.500193 0.843714
N 1.808628 -1.750209 -0.903664
N -2.009980 -0.657443 -1.219522
N 4.336412 -2.455720 0.211194
N -3.955345 -2.349042 -0.003375
C 0.227408 0.285337 0.247409
C 0.028174 1.800875 0.415657
C 0.004542 2.680154 -0.700276
C -0.163691 2.432867 1.670742
C 2.298848 -1.118741 0.208182
C -1.926490 -1.001277 0.104892
C -0.239400 4.063439 -0.587111
C -0.403518 3.806563 1.838564
C -0.451809 4.625366 0.688617
C 3.571176 -1.484761 0.761630
C -2.916447 -1.851385 0.705405
C 2.592822 -2.722240 -1.451219
C -3.054010 -1.178539 -1.924485
C 3.844853 -3.081932 -0.907813
C -4.025841 -2.014073 -1.333902
H 0.206641 0.041310 -0.828057
H 1.872873 0.338745 1.629480
H -0.843119 -0.668374 1.849808
H -0.255866 4.687263 -1.484547
H -0.545571 4.225306 2.838084
H -0.644955 5.697614 0.789733
H 3.969744 -0.984199 1.653020
H -2.859229 -2.128737 1.765270
H 2.195163 -3.218715 -2.342614
H -3.106241 -0.905119 -2.983812
H 4.465157 -3.865796 -1.350287
H -4.865739 -2.420237 -1.903780


