%chk=000279023.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279023

0 1
Cl 5.929984 0.461761 -0.229762
O 1.926633 -1.615460 -2.304095
O 3.968732 1.893541 1.456519
N -0.729993 0.160657 0.362704
N 0.009336 -0.088371 -0.624011
N -4.246940 0.023845 1.380814
N -4.214776 0.207402 -1.075143
N -6.246961 0.024465 0.119118
C -2.137176 0.129516 0.177915
C 1.429483 -0.010835 -0.429331
C -2.893659 0.045326 1.394096
C -2.857580 0.226541 -1.052141
C 2.266421 -0.732604 -1.316724
C 2.026109 0.827562 0.536777
C 3.409844 0.964663 0.590641
C 3.675440 -0.589735 -1.255049
C 4.232289 0.256324 -0.312117
C -2.241992 -0.036801 2.729669
C -2.194865 0.389486 -2.373104
C -4.875897 0.090863 0.140795
C 0.563397 -2.086679 -2.441028
C 4.475223 1.319448 2.691326
H 1.401244 1.391783 1.234659
H 4.293325 -1.148822 -1.960651
H -2.970424 -0.016550 3.556054
H -1.652544 -0.963110 2.824535
H -1.535992 0.797847 2.876786
H -1.554392 1.288157 -2.386915
H -1.526745 -0.464658 -2.602800
H -2.918794 0.482075 -3.198868
H 0.677559 -2.841620 -3.229359
H -0.097426 -1.266533 -2.762335
H 0.216703 -2.532829 -1.504583
H -6.768215 0.005084 0.981729
H -6.746911 0.130046 -0.749799
H 5.268860 0.597412 2.481496
H 3.656634 0.866808 3.255872
H 4.872865 2.204395 3.202612


%chk=000279023-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279023

0 1
Cl 5.999693 0.516031 -0.052249
O 2.074848 -1.724801 -2.389726
O 3.755975 1.847337 1.653224
N -0.718239 0.154202 0.300392
N 0.007482 -0.306398 -0.698282
N -4.194086 0.261073 1.467504
N -4.270367 0.142410 -0.982620
N -6.223353 0.175588 0.305312
C -2.121432 0.131389 0.170854
C 1.413266 -0.141255 -0.501104
C -2.837891 0.240147 1.421148
C -2.908585 0.111686 -1.038765
C 2.338426 -0.821432 -1.365845
C 1.943487 0.710468 0.515682
C 3.315544 0.917102 0.692403
C 3.734963 -0.613274 -1.188121
C 4.208757 0.237640 -0.187530
C -2.111352 0.313171 2.741278
C -2.323153 0.116978 -2.428075
C -4.852857 0.188301 0.260117
C 0.716522 -2.054763 -2.845034
C 4.343989 1.259716 2.876839
H 1.236642 1.235943 1.163958
H 4.419270 -1.132854 -1.863061
H -2.837950 0.506996 3.544819
H -1.580240 -0.633131 2.950761
H -1.340122 1.102158 2.720870
H -1.426218 0.756053 -2.489796
H -2.000855 -0.899890 -2.716453
H -3.095616 0.455517 -3.136583
H 0.875294 -2.819166 -3.621722
H 0.219255 -1.165861 -3.266875
H 0.102098 -2.447210 -2.018188
H -6.688115 0.217678 1.208828
H -6.748032 0.141308 -0.565046
H 5.243671 0.661915 2.641874
H 3.597145 0.631097 3.399209
H 4.620937 2.118530 3.506303


