%chk=000025693.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025693

1 1
 O   -1.773300      0.9933000     -0.8732000    
 O    3.738700      -2.247900      0.8640000    
 O    4.926100       1.582900      3.9200000E-02
 O    5.616400     -0.5940000     -0.2497000    
 N   -4.292500      0.1554000      7.0299998E-02
 N  -0.7980000     -0.9535000      1.0200000E-02
 C   -3.972300      0.9492000       1.328700    
 C   -5.600800     -0.5976000      0.2644000    
 C   -3.171500     -0.8372000     -0.2020000    
 C   -4.425300       1.107000      -1.109900    
 C   -5.089900       1.934100       1.594300    
 C   -5.913400      -1.384600     -0.9894000    
 C   -1.846500     -0.1370000     -0.4027000    
 C   0.5860000     -0.6595000     -1.6899999E-02
 C    1.488600      -1.605300      0.4398000    
 C    1.007900      0.5681000     -0.4992000    
 C    2.852700      -1.315200      0.4133000    
 C    2.372000      0.8583000     -0.5256000    
 C    3.294400     -8.3300002E-02 -6.9300003E-02
 C    4.713800      0.2397000     -0.1053000    
 C    6.286900       2.027200      1.8900000E-02
 H   -3.861400      0.2418000       2.158500    
 H   -3.029900       1.487000       1.192700    
 H   -6.411000      0.1163000      0.4332000    
 H   -5.498300      -1.251600       1.137300    
 H   -3.138900      -1.534000      0.6431000    
 H   -3.377200      -1.383400      -1.127000    
 H   -3.801200       1.993000     -0.9637000    
 H   -4.149000      0.5931000      -2.036200    
 H   -5.465400       1.443000      -1.186400    
 H   -6.007000       1.452500       1.944400    
 H   -5.327100       2.589300      0.7531000    
 H   -4.779900       2.593700       2.414200    
 H   -6.921700      -1.805500     -0.8907000    
 H   -5.922000     -0.7916000      -1.906800    
 H   -5.253700      -2.246100      -1.125300    
 H   -1.032500      -1.875400      0.3722000    
 H    1.148400      -2.566400      0.8169000    
 H   0.3579000       1.345900     -0.8714000    
 H    2.685700       1.821300     -0.9204000    
 H    4.643900      -1.899100      0.8433000    
 H    6.292600       3.112900      0.1455000    
 H    6.844100       1.573000      0.8436000    
 H    6.749200       1.781600     -0.9417000    


%chk=000025693-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025693

1 1
O -1.777373 1.342636 -0.399137
O 3.723366 -2.339412 0.573812
O 5.300199 1.518062 -0.236658
O 5.704857 -0.713691 0.272755
N -4.435324 0.203833 -0.004449
N -0.765696 -0.727866 0.071945
C -4.289232 1.063361 1.295886
C -5.678068 -0.722116 0.147228
C -3.189598 -0.678693 -0.162008
C -4.606052 1.110637 -1.229079
C -5.502346 1.929400 1.649359
C -5.890650 -1.742402 -0.977438
C -1.841348 0.098146 -0.161805
C 0.634294 -0.408481 0.048189
C 1.513920 -1.479354 0.313021
C 1.124186 0.900627 -0.225361
C 2.911468 -1.265567 0.309717
C 2.512746 1.104099 -0.228452
C 3.423524 0.049641 0.033088
C 4.885541 0.237743 0.036105
C 6.771971 1.748803 -0.243528
H -4.074576 0.338641 2.102269
H -3.399139 1.688586 1.130033
H -6.543226 -0.044238 0.211530
H -5.561377 -1.226814 1.123064
H -3.221010 -1.423445 0.653810
H -3.289948 -1.210729 -1.123305
H -3.760338 1.811013 -1.254550
H -4.604689 0.490729 -2.137476
H -5.564844 1.641262 -1.144685
H -6.408193 1.351078 1.893486
H -5.741906 2.671783 0.870049
H -5.237201 2.501961 2.556051
H -6.835284 -2.274056 -0.765810
H -6.006912 -1.273989 -1.968827
H -5.101916 -2.510788 -1.030193
H -0.962818 -1.712831 0.276470
H 1.155852 -2.493445 0.524331
H 0.434968 1.720171 -0.425319
H 2.918432 2.098286 -0.435686
H 4.697117 -2.021652 0.533378
H 6.881712 2.816318 -0.474877
H 7.194190 1.505118 0.744638
H 7.246319 1.119030 -1.013273


