%chk=000045554.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045554

0 1
 O    5.768900       1.289500     -0.1151000    
 O    3.926000       2.477900     -0.2191000    
 N   -2.524800      -2.028700     -0.1603000    
 N    4.517600       1.379100     -8.5699998E-02
 C   -2.021400     -0.8869000     -0.9695000    
 C   -2.451700      0.4928000     -0.4535000    
 C   -3.307300      0.6301000      0.5804000    
 C   -1.908600       1.702600      -1.185100    
 C   -3.943700     -0.5714000       1.219700    
 C   -3.717100       1.966800       1.146200    
 C   -3.895200      -1.796500      0.3097000    
 C   -2.658100       3.000100     -0.8792000    
 C  -0.4846000     -0.9668000      -1.020700    
 C   -2.894300       3.140100      0.6172000    
 C   0.1103000     -0.8008000      0.3705000    
 C   -2.480700      -3.292800     -0.9043000    
 C    1.614900     -0.8815000      0.3284000    
 C    2.355100      0.2766000      0.1415000    
 C    2.235600      -2.112800      0.4789000    
 C    3.747500      0.2015000      0.1041000    
 C    3.627800      -2.187900      0.4415000    
 C    4.383800      -1.030800      0.2542000    
 H   -2.414600     -0.9705000      -1.992600    
 H  -0.8544000       1.840000     -0.9173000    
 H   -1.949800       1.529300      -2.267000    
 H   -3.437400     -0.7805000       2.170100    
 H   -4.994500     -0.3583000       1.450400    
 H   -4.774600       2.133400      0.9051000    
 H   -3.635700       1.947400       2.239500    
 H   -4.251500      -2.658200      0.8880000    
 H   -4.583400      -1.667900     -0.5371000    
 H   -2.083100       3.855100      -1.252300    
 H   -3.620100       3.006600      -1.407000    
 H  -8.6400002E-02 -0.1991000      -1.696900    
 H  -0.1545000      -1.913700      -1.463900    
 H   -3.411000       4.082000      0.8334000    
 H   -1.929200       3.178800       1.138300    
 H  -0.2596000      -1.572600       1.057300    
 H  -0.1709000      0.1558000      0.8265000    
 H   -3.085700      -3.254500      -1.817300    
 H   -2.853600      -4.115500     -0.2831000    
 H   -1.458400      -3.568600      -1.177400    
 H    1.834700       1.224000      2.5100000E-02
 H    1.655600      -3.020000      0.6232000    
 H    4.122800      -3.147700      0.5578000    
 H    5.466300      -1.127500      0.2306000    


%chk=000045554-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045554

0 1
O 6.016677 1.128179 -0.181658
O 4.154551 2.437076 -0.290565
N -2.560661 -2.008180 -0.215880
N 4.736560 1.293974 -0.136619
C -2.035069 -0.841746 -0.984383
C -2.530866 0.510573 -0.460624
C -3.374517 0.628132 0.604790
C -2.014614 1.731229 -1.218318
C -3.953060 -0.606838 1.272689
C -3.818199 1.971438 1.168510
C -3.929995 -1.802942 0.311774
C -2.824195 3.011146 -0.912894
C -0.473299 -0.883410 -1.002042
C -3.013106 3.165951 0.611693
C 0.145269 -0.714337 0.411845
C -2.460132 -3.274781 -0.969387
C 1.655627 -0.855294 0.390019
C 2.485459 0.267901 0.159923
C 2.274907 -2.123579 0.561815
C 3.885140 0.101452 0.104166
C 3.679671 -2.272500 0.503269
C 4.507063 -1.154758 0.271696
H -2.362320 -0.914942 -2.058986
H -0.946992 1.914692 -0.967794
H -2.032168 1.521045 -2.307985
H -3.381597 -0.855941 2.190118
H -4.996196 -0.405415 1.591851
H -4.899946 2.110868 0.951784
H -3.741915 1.939818 2.275518
H -4.234434 -2.727920 0.836903
H -4.670387 -1.627053 -0.511005
H -2.308248 3.893762 -1.335843
H -3.818407 2.949457 -1.399259
H -0.094287 -0.092976 -1.677125
H -0.133661 -1.842641 -1.436087
H -3.524651 4.117029 0.852132
H -2.016872 3.201895 1.096868
H -0.315160 -1.475788 1.067808
H -0.143886 0.276122 0.810993
H -3.076129 -3.277692 -1.904523
H -2.803426 -4.108743 -0.331575
H -1.414730 -3.481768 -1.254606
H 2.062758 1.268517 0.027714
H 1.643311 -3.000173 0.750224
H 4.131154 -3.260240 0.643042
H 5.595980 -1.232600 0.223215


