%chk=000169572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169572

2 1
 O    3.157200       1.671900      0.7740000    
 O   -3.166600      -1.673300      0.7762000    
 N    5.007000     -0.2532000     -0.3847000    
 N   -5.016400      0.2509000     -0.3840000    
 N    3.596500     -0.3798000     -0.2739000    
 N   -3.606000      0.3772000     -0.2738000    
 C    5.456000      -1.537000      -1.061700    
 C    5.581600     -0.1641000       1.006100    
 C    5.302500      0.9369000      -1.261100    
 C   -5.465600       1.534000      -1.062200    
 C   -5.590600      0.1632000       1.007200    
 C   -5.312600     -0.9402000      -1.259000    
 C    2.796500      0.6000000      0.2986000    
 C   -2.774500     -0.5952000      0.2999000    
 C    1.343300      0.2884000      0.2990000    
 C   -1.352700     -0.2899000      0.3004000    
 C   0.4397000       1.330000      0.2986000    
 C  -0.9242000       1.037400      0.2993000    
 C   0.9464000      -1.032300      0.3002000    
 C  -0.4175000      -1.324800      0.3009000    
 H    3.217100      -1.203100     -0.7298000    
 H   -3.231000       1.207600     -0.7213000    
 H    4.988900      -1.603600      -2.050100    
 H    6.544800      -1.500300      -1.166800    
 H    5.169800      -2.390000     -0.4368000    
 H    5.323700      0.7969000       1.457600    
 H    5.198400     -0.9948000       1.607800    
 H    6.670700     -0.2347000      0.9228000    
 H    6.374600      0.9306000      -1.482100    
 H    4.729700      0.8512000      -2.190400    
 H    5.056400       1.861600     -0.7339000    
 H   -6.554400       1.496700      -1.167700    
 H   -5.180000       2.387700     -0.4380000    
 H   -4.998100       1.599900      -2.050600    
 H   -5.328800     -0.7958000       1.460400    
 H   -5.209400      0.9963000       1.606800    
 H   -6.680000      0.2303000      0.9241000    
 H   -5.062200      -1.863700     -0.7319000    
 H   -6.385400     -0.9362000      -1.476600    
 H   -4.742600     -0.8539000      -2.189800    
 H   0.7564000       2.368800      0.2991000    
 H   -1.615700       1.874300      0.3316000    
 H    1.638500      -1.866900      0.3383000    
 H  -0.7302000      -2.365800      0.3049000    


%chk=000169572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169572

2 1
O 3.295340 1.701723 0.384524
O -3.298302 -1.701312 0.390621
N 5.206611 -0.294543 -0.292481
N -5.208762 0.294583 -0.290519
N 3.745782 -0.475324 -0.315036
N -3.747759 0.474459 -0.314134
C 5.825757 -1.631052 -0.715873
C 5.676680 0.051552 1.135611
C 5.641067 0.809625 -1.279568
C -5.827286 1.630320 -0.717105
C -5.678315 -0.047469 1.138661
C -5.644102 -0.811976 -1.274466
C 2.862489 0.564726 0.050150
C -2.864974 -0.565352 0.053394
C 1.399785 0.222490 0.011817
C -1.402321 -0.223733 0.013248
C 0.500019 1.320769 0.024061
C -0.889667 1.101283 0.025879
C 0.887103 -1.102551 0.022032
C -0.502580 -1.322074 0.021698
H 3.432313 -1.341927 -0.759347
H -3.433852 1.338558 -0.763080
H 5.507349 -1.868690 -1.743208
H 6.919759 -1.524639 -0.687030
H 5.510157 -2.412799 -0.008102
H 5.230970 1.012090 1.424348
H 5.349766 -0.752893 1.810172
H 6.774906 0.121822 1.115829
H 6.739728 0.872847 -1.250156
H 5.296050 0.530049 -2.285949
H 5.187612 1.756027 -0.957074
H -6.921343 1.524618 -0.687636
H -5.510960 2.413705 -0.011488
H -5.509120 1.865146 -1.745164
H -5.233210 -1.007569 1.429767
H -5.350504 0.758490 1.810978
H -6.776605 -0.116992 1.119644
H -5.190624 -1.757643 -0.949834
H -6.742753 -0.874953 -1.244203
H -5.299729 -0.535060 -2.281808
H 0.907664 2.335781 0.056554
H -1.549310 1.974319 0.088288
H 1.546473 -1.976042 0.081089
H -0.910101 -2.337190 0.052497


