%chk=000053053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053053

0 1
 O  -0.9484000      0.4098000      0.6082000    
 O    3.986200      -2.789400      0.2563000    
 O    2.100300      -2.009900       1.077200    
 N   -4.513600      6.1000001E-02 -0.2600000    
 N    2.735400      0.5469000      0.1675000    
 N    4.510500       1.263300     -0.9297000    
 N    3.189400      -1.829200      0.4608000    
 C   -3.336700      0.2809000      0.5800000    
 C   -2.062600      0.1729000     -0.2424000    
 C   -5.737600      0.2074000      0.5268000    
 C   -4.459400      -1.262500     -0.8795000    
 C    1.441200      0.5828000      0.8452000    
 C   0.2786000      0.3227000     -0.1032000    
 C    3.358900       1.611700     -0.4000000    
 C    3.517500     -0.5496000     -9.9999997E-05
 C   -5.810800       1.578000       1.178300    
 C   -5.644100      -1.484800      -1.804400    
 C    4.615100     -8.2900003E-02 -0.6844000    
 C    2.780300       2.970900     -0.3967000    
 H   -3.327200       1.285800       1.016100    
 H   -3.297400     -0.4226000       1.422700    
 H   -1.921200     -0.8275000     -0.6588000    
 H   -2.066400      0.9069000      -1.057400    
 H   -6.620300      0.1388000     -0.1173000    
 H   -5.827000     -0.5704000       1.295700    
 H   -3.589400      -1.361300      -1.533500    
 H   -4.410900      -2.066300     -0.1343000    
 H    1.324000       1.590300       1.264900    
 H    1.438200     -4.0899999E-02   1.740800    
 H   0.3714000     -0.6732000     -0.5521000    
 H   0.2802000       1.058200     -0.9165000    
 H   -6.827600       1.752000       1.549000    
 H   -5.583200       2.380300      0.4681000    
 H   -5.147700       1.667000       2.044400    
 H   -5.465200      -2.370900      -2.424300    
 H   -5.794900     -0.6381000      -2.482900    
 H   -6.573000      -1.672100      -1.256900    
 H    5.479000     -0.6420000      -1.015100    
 H    3.407700       3.650800     -0.9827000    
 H    1.780800       2.983400     -0.8406000    
 H    2.723700       3.370800      0.6205000    


%chk=000053053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053053

0 1
O -0.923714 0.295548 0.577869
O 4.247768 -2.460303 -1.356081
O 2.213171 -2.281897 -0.313825
N -4.589492 -0.166262 -0.034452
N 2.766212 0.508200 0.183186
N 4.604142 1.662528 -0.523106
N 3.339793 -1.776540 -0.734877
C -3.338579 0.132403 0.707427
C -2.132038 0.090106 -0.240555
C -5.754701 0.638353 0.418509
C -4.874620 -1.626196 -0.106436
C 1.447965 0.262048 0.809661
C 0.300647 0.287154 -0.216852
C 3.415478 1.740021 0.147657
C 3.603505 -0.389579 -0.514264
C -5.684341 2.106497 -0.042900
C -5.720648 -2.018040 -1.332672
C 4.726002 0.346901 -0.931335
C 2.886121 2.988793 0.778676
H -3.399200 1.142673 1.148691
H -3.162679 -0.575601 1.550484
H -2.067899 -0.889642 -0.761459
H -2.224872 0.887126 -1.007829
H -6.665131 0.181448 -0.010129
H -5.873857 0.596133 1.531228
H -3.904964 -2.155316 -0.164989
H -5.372347 -1.988319 0.828995
H 1.273359 1.055636 1.554615
H 1.457894 -0.710406 1.321609
H 0.348576 -0.610923 -0.866780
H 0.361166 1.198040 -0.854791
H -6.578440 2.661906 0.297075
H -5.633277 2.155778 -1.144565
H -4.795984 2.624064 0.363237
H -5.879140 -3.112406 -1.357575
H -5.208602 -1.712534 -2.261688
H -6.715491 -1.537570 -1.319085
H 5.580808 -0.017252 -1.494332
H 3.571770 3.811399 0.526418
H 1.875326 3.246926 0.414218
H 2.834114 2.908110 1.880723


