%chk=000025876.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025876

0 1
 O   -4.929400      0.5531000      9.2000002E-03
 N   -2.789600      -1.303300     -0.2668000    
 N    3.050700      -3.028300      -1.125700    
 C    1.642200      -1.217400      0.2057000    
 C   0.1582000      -1.732500      0.2404000    
 C    2.218800      -1.130800       1.682700    
 C  -0.5297000      -1.844100      -1.136300    
 C    1.687600      0.1895000     -0.4360000    
 C   -1.998800      -2.264700      -1.032400    
 C    3.681100     -0.6587000       1.763900    
 C    2.090800      -2.452900       2.462900    
 C    1.005500       1.239500      0.1417000    
 C   -2.737700      2.7300000E-02 -0.8881000    
 C   -4.184600      -1.750500     -0.1502000    
 C    2.435200      -2.229500     -0.5502000    
 C    2.436500      0.2921000      -1.582500    
 C   -3.579200       1.009700     -7.8400001E-02
 C   -4.992700     -0.7260000      0.6410000    
 C    1.087300       2.501500     -0.4932000    
 C    2.517400       1.533300      -2.206700    
 C   0.2455000       1.109100       1.315500    
 C    1.847700       2.631700      -1.666700    
 C   0.4065000       3.596100      6.4199999E-02
 C  -0.4247000       2.207300       1.855300    
 C  -0.3444000       3.448400       1.230700    
 H   0.1652000      -2.759700      0.6344000    
 H  -0.5026000      -1.209700      0.9216000    
 H    1.709900     -0.4208000       2.323600    
 H  -0.4220000     -0.9270000      -1.721700    
 H  -1.6100001E-02  -2.616400      -1.723500    
 H   -2.043100      -3.246700     -0.5445000    
 H   -2.404400      -2.392300      -2.044600    
 H    4.359200      -1.353300       1.257800    
 H    4.007400     -0.5856000       2.807700    
 H    3.810700      0.3325000       1.318900    
 H    1.043900      -2.720500       2.632600    
 H    2.551000      -2.361000       3.453800    
 H    2.587200      -3.283500       1.952100    
 H   -3.118000     -1.6799999E-02  -1.917000    
 H   -1.726600      0.4370000     -0.9159000    
 H   -4.232900      -2.716100      0.3658000    
 H   -4.629300      -1.874100      -1.146400    
 H    2.981100     -0.5127000      -2.058000    
 H   -3.178500       1.151100      0.9321000    
 H   -3.589600       1.987400     -0.5709000    
 H   -6.044400      -1.027800      0.6766000    
 H   -4.636700     -0.6414000       1.675100    
 H    3.101700       1.648900      -3.115100    
 H   7.0000000E-02  0.2198000       1.892300    
 H    1.924800       3.592400      -2.171700    
 H   0.4548000       4.575400     -0.4073000    
 H   -1.015500       2.094400       2.760000    
 H  -0.8680000       4.302500       1.650300    


%chk=000025876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025876

0 1
O -5.165660 0.295959 0.363103
N -2.834513 -1.301765 -0.344724
N 3.022868 -3.086421 -1.047998
C 1.607466 -1.230953 0.271338
C 0.121805 -1.761705 0.194615
C 2.179371 -1.243257 1.763999
C -0.496443 -1.718894 -1.217987
C 1.762135 0.178350 -0.377411
C -1.977772 -2.155649 -1.209147
C 3.662329 -0.803485 1.806078
C 2.005045 -2.610925 2.464968
C 1.061955 1.355085 0.119064
C -3.029897 0.067549 -0.892312
C -4.154740 -1.929987 -0.074638
C 2.411521 -2.229109 -0.485685
C 2.612651 0.326549 -1.483660
C -3.858456 0.914537 0.085863
C -4.964652 -1.059969 0.899939
C 1.279976 2.631049 -0.551388
C 2.819994 1.579060 -2.134149
C 0.152385 1.362777 1.236140
C 2.164310 2.716544 -1.675015
C 0.608504 3.811944 -0.088462
C -0.487573 2.528348 1.663874
C -0.261021 3.771879 1.000111
H 0.109444 -2.808088 0.553056
H -0.528337 -1.189211 0.875635
H 1.593146 -0.494085 2.326705
H -0.401550 -0.705451 -1.650031
H 0.058497 -2.397017 -1.895866
H -2.046344 -3.191247 -0.820638
H -2.358175 -2.179042 -2.262519
H 4.306009 -1.525198 1.269440
H 4.009431 -0.757253 2.854203
H 3.811037 0.192362 1.353812
H 0.944628 -2.886679 2.597833
H 2.464347 -2.570026 3.469573
H 2.507142 -3.419136 1.901562
H -3.548817 0.033710 -1.884192
H -2.048308 0.552878 -1.036657
H -3.992227 -2.929794 0.371657
H -4.745764 -2.064534 -1.016301
H 3.145289 -0.548235 -1.869862
H -3.293383 1.039424 1.034907
H -4.085465 1.905145 -0.341311
H -5.976798 -1.469954 1.053372
H -4.433536 -1.001779 1.875156
H 3.497587 1.631338 -2.992717
H -0.062330 0.439725 1.774788
H 2.312269 3.688043 -2.160987
H 0.796799 4.755637 -0.614421
H -1.169589 2.487085 2.520480
H -0.767191 4.679768 1.344903


