%chk=000087114.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087114

0 1
 O    2.422800      0.2317000     -0.4857000    
 O   0.9113000      0.2679000       1.255900    
 N   -3.013500       1.862400      0.2884000    
 C   -1.197600      0.8674000     -0.5114000    
 C   -2.195300     -0.1263000     -0.3057000    
 C   -3.324300      0.5244000      0.1964000    
 C   0.1675000      0.6493000      -1.031800    
 C    4.788400     -0.1597000     -0.3318000    
 C   -1.730400       2.079400     -0.1373000    
 C    3.480800     -4.2800002E-02  0.4384000    
 C    5.961800     -0.4689000      0.5936000    
 C   -2.246200      -1.521000     -0.4991000    
 C    1.179000      0.3639000      6.5899998E-02
 C   -4.506600     -0.1527000      0.5161000    
 C   -3.422100      -2.211500     -0.1836000    
 C   -4.533700      -1.535900      0.3160000    
 C    7.258200     -0.6275000     -0.1844000    
 H   0.1779000     -0.1942000      -1.731300    
 H   0.5026000       1.541600      -1.574300    
 H    4.972400      0.7719000     -0.8815000    
 H    4.689600     -0.9425000      -1.094400    
 H   -1.313400       3.077000     -0.1342000    
 H   -3.642100       2.580000      0.6220000    
 H    3.266700     -0.9814000      0.9629000    
 H    3.544700      0.7731000       1.167900    
 H    5.763900      -1.392000       1.150900    
 H    6.077900      0.3356000       1.329000    
 H   -1.388600      -2.063700     -0.8862000    
 H   -5.372500      0.3724000      0.9053000    
 H   -3.467000      -3.287400     -0.3303000    
 H   -5.436700      -2.092000      0.5545000    
 H    7.185500      -1.448300     -0.9051000    
 H    7.502400      0.2892000     -0.7306000    
 H    8.085300     -0.8470000      0.4979000    


%chk=000087114-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087114

0 1
O 1.985029 1.032466 -0.509753
O 1.571345 2.931337 0.778122
N -3.173578 1.271905 0.670878
C -1.197173 1.614159 -0.423155
C -1.473862 0.186676 -0.405445
C -2.725150 0.002474 0.284023
C 0.003039 2.301511 -1.036605
C 3.786031 -0.570316 -0.160285
C -2.251232 2.237723 0.243708
C 3.185850 0.745466 0.334365
C 5.051176 -0.955769 0.643157
C -0.789764 -0.952501 -0.908680
C 1.244872 2.164262 -0.155510
C -3.304888 -1.271665 0.473444
C -1.364902 -2.224804 -0.725172
C -2.608245 -2.383305 -0.042592
C 5.673053 -2.283903 0.161057
H 0.224744 1.874948 -2.030696
H -0.196269 3.380263 -1.151614
H 4.038598 -0.477865 -1.234334
H 3.027625 -1.372229 -0.073402
H -2.406112 3.295733 0.447198
H -4.035232 1.464842 1.175994
H 2.863986 0.689334 1.390710
H 3.891534 1.591511 0.234199
H 4.794645 -1.036425 1.718903
H 5.802235 -0.143967 0.560890
H 0.173866 -0.837987 -1.415957
H -4.258189 -1.399028 0.998793
H -0.851580 -3.113698 -1.108879
H -3.027863 -3.387660 0.084207
H 4.954324 -3.118336 0.264088
H 5.965152 -2.221910 -0.904097
H 6.575635 -2.540840 0.744841


