%chk=000186798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186798

0 1
Cl -3.568668 -2.625220 0.800401
O 2.903567 -0.586852 -1.566456
O -0.918119 -2.724358 -0.442431
O 2.200342 -1.166475 0.507727
N -0.510204 -0.491186 -0.340484
C -0.882463 0.844230 0.077566
C -1.743075 1.605731 -0.748989
C -0.402018 1.368513 1.298846
C -2.318605 1.066509 -2.032349
C 0.594837 -0.620311 -1.308378
C -2.093505 2.902086 -0.349332
C -0.774919 2.673116 1.665923
C -1.607862 3.433428 0.847547
C -1.199987 -1.653306 0.057003
C 0.468785 0.596056 2.228742
C -3.666640 0.388202 -1.790265
C 1.936642 -0.830203 -0.619618
C -2.261875 -1.474570 1.124144
C 4.310574 -0.738336 -1.190440
C 4.826245 0.587699 -0.638088
C 4.799813 0.635874 0.885409
H -1.626088 0.350389 -2.519136
H -2.441762 1.889954 -2.767559
H 0.411569 -1.510368 -1.973224
H 0.650625 0.276674 -1.970032
H -2.755293 3.499064 -0.975544
H -0.405749 3.091249 2.601562
H -1.885452 4.445229 1.143718
H 1.422694 1.115459 2.407849
H -0.009967 0.452554 3.206449
H 0.749227 -0.405107 1.853598
H -3.562158 -0.524061 -1.188708
H -4.135221 0.094476 -2.737267
H -4.366875 1.049658 -1.266951
H 4.758712 -1.003937 -2.164754
H 4.404895 -1.576783 -0.478129
H -2.695656 -0.453744 1.164227
H -1.825399 -1.693555 2.122946
H 4.212829 1.414588 -1.055245
H 5.856692 0.767510 -1.004615
H 3.814599 0.336815 1.276413
H 5.015737 1.642332 1.258610
H 5.535578 -0.045924 1.327215


%chk=000186798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186798

0 1
Cl -3.459747 -2.064838 0.059151
O 2.988587 -0.864557 -1.274150
O 0.017766 -2.650550 -0.024112
O 2.407562 -0.588777 0.973835
N -0.381200 -0.367207 0.074399
C -1.135455 0.796402 0.522323
C -2.004943 1.444196 -0.410324
C -0.971704 1.270358 1.857236
C -2.142355 0.911455 -1.835539
C 0.753572 -0.188009 -0.849159
C -2.718510 2.584733 0.028695
C -1.707671 2.418375 2.248192
C -2.572797 3.069646 1.346272
C -0.699312 -1.687040 0.388260
C -0.054513 0.585050 2.854069
C -3.397106 1.373832 -2.603094
C 2.108416 -0.577328 -0.239143
C -1.956225 -1.942270 1.211577
C 4.395596 -1.237028 -0.916371
C 5.358546 -0.140854 -1.389852
C 5.172438 1.201098 -0.651888
H -2.133265 -0.193681 -1.797436
H -1.242457 1.200629 -2.419477
H 0.615692 -0.798765 -1.758181
H 0.800313 0.875074 -1.141715
H -3.402183 3.091325 -0.658852
H -1.590918 2.799169 3.269546
H -3.133258 3.954695 1.667773
H 0.238227 1.288302 3.652533
H -0.556206 -0.270774 3.349862
H 0.857162 0.190047 2.374568
H -4.317281 1.128389 -2.042594
H -3.449398 0.863319 -3.581286
H -3.392604 2.461394 -2.800545
H 4.569644 -2.190626 -1.442043
H 4.447067 -1.388713 0.176483
H -2.208883 -1.147778 1.924233
H -1.879081 -2.926976 1.688895
H 5.236299 0.002131 -2.480469
H 6.388330 -0.520745 -1.231770
H 4.163202 1.613704 -0.830518
H 5.907296 1.948552 -1.000793
H 5.297759 1.077741 0.439312


