%chk=000106116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106116

0 1
 O   -5.115300       1.840500      0.5488000    
 O    5.226600      0.4798000     -0.1621000    
 O    8.012000      0.5064000      0.1320000    
 N  -0.7917000     -0.2169000      0.4751000    
 N   -6.358200     -0.6219000     -6.5000001E-03
 N  -0.2840000      3.5500001E-02 -0.6423000    
 C   -2.777900      -1.559300      7.6700002E-02
 C   -2.182200     -0.3286000      0.3526000    
 C   -4.955800     -0.5137000      0.1159000    
 C   -4.164800      -1.651900     -4.1499998E-02
 C   -4.360000      0.7170000      0.3916000    
 C   -2.973200      0.8095000      0.5101000    
 C   -1.951800      -2.791900     -9.5299996E-02
 C    1.111600      0.1478000     -0.5197000    
 C    3.874900      0.3702000     -0.2785000    
 C    1.911200     -0.9801000     -0.6749000    
 C    1.683100       1.386300     -0.2450000    
 C    3.296400     -0.8687000     -0.5539000    
 C    3.068200       1.497800     -0.1242000    
 C    5.931700     -0.6632000      0.3195000    
 C    7.182700     -0.2041000       1.043400    
 C   -5.383400       2.609400     -0.6219000    
 H   -4.632600      -2.609800     -0.2577000    
 H   -2.511800       1.770200      0.7269000    
 H   -1.269800      -2.922700      0.7516000    
 H   -2.572100      -3.693200     -0.1480000    
 H   -1.370400      -2.734100      -1.021100    
 H    3.889300      -1.765200     -0.7087000    
 H    3.513400       2.465500      9.0000004E-02
 H    1.468400      -1.947700     -0.8961000    
 H    1.062100       2.269900     -0.1240000    
 H    5.331600      -1.242600       1.032100    
 H    6.201800      -1.289700     -0.5382000    
 H   -6.939900      0.1954000      0.1215000    
 H   -6.782600      -1.518400     -0.2038000    
 H    7.745300      -1.050500       1.448000    
 H    6.931600      0.4807000       1.859000    
 H   -5.904900       2.007800      -1.372900    
 H   -4.452300       3.005300      -1.039600    
 H   -6.024700       3.449200     -0.3405000    
 H    8.253800     -0.1066000     -0.5832000    


%chk=000106116-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000106116

0 1
O -5.360804 1.671525 -0.306416
O 5.268382 0.640104 0.321035
O 8.038835 0.548843 -0.817455
N -0.984215 -0.726693 -0.004826
N -6.621017 -0.670101 -0.339619
N -0.377085 0.443559 0.012897
C -3.088913 -1.923707 -0.105722
C -2.395873 -0.670467 -0.087699
C -5.239775 -0.706942 -0.255855
C -4.496962 -1.914558 -0.189734
C -4.520658 0.538457 -0.235563
C -3.130923 0.556795 -0.153210
C -2.334267 -3.238031 -0.036262
C 1.045285 0.371916 0.093005
C 3.876814 0.476275 0.245546
C 1.809420 -0.827734 0.146120
C 1.726818 1.622227 0.118367
C 3.213310 -0.781516 0.222083
C 3.126696 1.678699 0.193524
C 6.100788 -0.567356 0.339842
C 7.566833 -0.135691 0.386769
C -4.706320 2.980380 -0.291695
H -5.039085 -2.868005 -0.204872
H -2.550829 1.484242 -0.135577
H -1.735709 -3.304930 0.889332
H -3.030830 -4.094064 -0.067323
H -1.621867 -3.332816 -0.874558
H 3.778516 -1.717927 0.264963
H 3.663129 2.631966 0.210729
H 1.277551 -1.784052 0.126883
H 1.127782 2.537752 0.076053
H 5.865682 -1.174997 1.240011
H 5.894926 -1.184526 -0.562413
H -7.083785 0.234909 -0.384318
H -7.171057 -1.523356 -0.357951
H 8.182459 -1.037475 0.602452
H 7.713332 0.594537 1.198974
H -4.027510 3.093713 -1.158630
H -4.134581 3.127017 0.644727
H -5.520429 3.717615 -0.353759
H 7.832236 -0.002188 -1.614654


