%chk=000001872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001872

0 1
 O   -2.236600       1.980500       1.223400    
 N  -0.5020000      -1.821800     -9.5799997E-02
 N    5.332500     -0.4264000     -0.1752000    
 N   -3.929000       1.253600     -0.1945000    
 C   0.7884000      -1.177700      0.2790000    
 C   0.8100000      0.3547000     -3.5000001E-03
 C    1.974500      -1.948200     -0.4117000    
 C   -1.646300      0.3446000     -0.3729000    
 C   -1.643700      -1.007200      0.3450000    
 C    3.248400      -1.191800     -0.2836000    
 C    2.114100       1.049700      8.0700003E-02
 C  -0.3104000       1.020400     -0.3341000    
 C    3.217600      0.2003000     -6.1200000E-02
 C  -0.6290000      -3.174100      0.4572000    
 C    4.518600      0.6716000      1.3000000E-03
 C   -2.621900       1.266500      0.2938000    
 C    4.571000      -1.561700     -0.3507000    
 C    2.375800       2.409200      0.2904000    
 C    4.796800       2.023500      0.2080000    
 C    3.694800       2.881200      0.3510000    
 C   -1.891100      -3.839900      2.0000001E-03
 C   -4.977100       2.099600      0.3617000    
 C   -4.342100      0.3911000      -1.298600    
 C   -2.843700      -4.283100      0.8305000    
 C   -5.706600       1.397000       1.494200    
 C   -4.162900       1.088300      -2.636600    
 H   0.9239000      -1.270500       1.368600    
 H    1.757900      -2.092900      -1.478000    
 H    2.109700      -2.936200      4.1600000E-02
 H   -1.860600      0.2084000      -1.434900    
 H   -1.611900     -0.8662000       1.436000    
 H   -2.601300      -1.492100      0.1389000    
 H  -0.2741000       2.074100     -0.6002000    
 H  -0.5680000      -3.155400       1.553400    
 H   0.1850000      -3.815100      0.1042000    
 H    5.046000      -2.519500     -0.5096000    
 H    1.563400       3.119400      0.4202000    
 H    6.342800     -0.4034000     -0.1800000    
 H    5.812900       2.398100      0.2580000    
 H    3.870300       3.941900      0.5169000    
 H   -2.029300      -3.978000      -1.067700    
 H   -4.515800       3.013000      0.7538000    
 H   -5.674000       2.397000     -0.4290000    
 H   -3.803500     -0.5562000      -1.304200    
 H   -5.397500      0.1269000      -1.162200    
 H   -3.733800      -4.762100      0.4377000    
 H   -2.755300      -4.175500       1.905800    
 H   -6.192800      0.4804000       1.145100    
 H   -5.014800       1.121500       2.297100    
 H   -6.475500       2.052000       1.915200    
 H   -4.789200       1.984500      -2.698200    
 H   -3.128800       1.402900      -2.804700    
 H   -4.453300      0.4197000      -3.452900    


%chk=000001872-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001872

0 1
O -2.461529 2.299915 1.087386
N -0.505587 -1.722619 0.076406
N 5.431420 -0.524478 -0.319208
N -4.021974 1.253539 -0.279458
C 0.850322 -1.132485 0.280698
C 0.859957 0.397325 0.062319
C 1.900199 -1.850596 -0.645019
C -1.634715 0.457154 -0.304650
C -1.612220 -0.845229 0.531963
C 3.253937 -1.209982 -0.459242
C 2.200381 1.027445 0.174510
C -0.269979 1.104948 -0.213392
C 3.300474 0.172383 -0.071069
C -0.640600 -3.083297 0.667646
C 4.657306 0.599835 0.005635
C -2.729414 1.410821 0.214039
C 4.577740 -1.620312 -0.598707
C 2.506935 2.365606 0.513684
C 4.963009 1.939814 0.339839
C 3.864779 2.800094 0.587023
C -1.776024 -3.863541 0.036189
C -5.080780 2.153402 0.243636
C -4.425486 0.280457 -1.320958
C -2.751063 -4.512707 0.720281
C -5.814768 1.552434 1.461277
C -4.374953 0.865953 -2.750700
H 1.192863 -1.296779 1.337143
H 1.544618 -1.745196 -1.688992
H 1.930117 -2.932603 -0.421593
H -1.834106 0.176900 -1.358187
H -1.515021 -0.569242 1.611067
H -2.555053 -1.409484 0.416020
H -0.217000 2.189749 -0.360522
H -0.776726 -3.044931 1.777043
H 0.301678 -3.632339 0.483113
H 4.993946 -2.587468 -0.875705
H 1.705992 3.073745 0.752510
H 6.447558 -0.556953 -0.350780
H 5.990981 2.311325 0.411614
H 4.066912 3.842712 0.858648
H -1.758863 -3.889334 -1.063455
H -4.597550 3.100988 0.534932
H -5.792610 2.360928 -0.577690
H -3.795661 -0.622167 -1.258629
H -5.457219 -0.046818 -1.089452
H -3.527212 -5.090607 0.206051
H -2.795551 -4.490210 1.816782
H -6.283106 0.581141 1.215398
H -5.104505 1.399378 2.291398
H -6.610631 2.237426 1.807757
H -5.013278 1.763724 -2.834828
H -3.344388 1.155566 -3.022691
H -4.731054 0.121273 -3.486380


