%chk=000051955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051955

0 1
 O    4.653300      0.8391000      0.5851000    
 N   -4.077600      0.5842000      4.6000000E-02
 N    2.285400     -0.4464000     -0.2503000    
 C   -2.743400      0.1283000      1.0600000E-02
 C  -0.1045000     -0.7738000     -5.9300002E-02
 C   -2.467500      -1.232400      0.1454000    
 C   -1.699700       1.038100     -0.1592000    
 C   -1.148100      -1.683400      0.1105000    
 C  -0.3802000      0.5870000     -0.1942000    
 C   -5.075800     -0.1261000      0.8204000    
 C   -4.465100       1.777200     -0.6805000    
 C    1.271100      -1.244000     -9.6600004E-02
 C    3.575400      -1.130600     -0.2593000    
 C    4.678500     -0.1103000     -0.4729000    
 C    5.698200       1.793100      0.4544000    
 H   -3.257400      -1.968200      0.2670000    
 H   -1.878900       2.105200     -0.2550000    
 H  -0.9489000      -2.747000      0.2141000    
 H   0.4130000       1.318200     -0.3251000    
 H   -4.682300     -0.4345000       1.795600    
 H   -5.947200      0.5079000       1.019100    
 H   -5.429200      -1.010500      0.2799000    
 H   -4.181400       2.678300     -0.1267000    
 H   -4.007200       1.807800      -1.675700    
 H   -5.549800       1.812000     -0.8326000    
 H    1.428700      -2.332800      1.4000000E-02
 H    3.730400      -1.632800      0.7035000    
 H    3.612700      -1.878800      -1.059600    
 H    4.533300      0.4079000      -1.428300    
 H    5.649200     -0.6190000     -0.4900000    
 H    6.674700       1.300800      0.4956000    
 H    5.627500       2.497300       1.287600    
 H    5.595200       2.349200     -0.4824000    


%chk=000051955-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051955

0 1
O 4.463079 0.048346 0.792133
N -4.024410 0.583712 0.118172
N 2.300233 -0.525176 -1.253267
C -2.686349 0.196793 -0.001074
C 0.071905 -0.594826 -0.252157
C -2.119426 -0.793356 0.865105
C -1.831053 0.779696 -0.997084
C -0.772624 -1.171683 0.733835
C -0.490597 0.389507 -1.113064
C -4.877779 -0.029297 1.143457
C -4.582276 1.600423 -0.782629
C 1.475522 -1.016719 -0.362786
C 3.694073 -1.007523 -1.244559
C 4.633785 0.059201 -0.664002
C 5.156501 1.155639 1.442157
H -2.730350 -1.265823 1.639107
H -2.222196 1.540099 -1.679052
H -0.362953 -1.932168 1.411694
H 0.158168 0.835709 -1.874543
H -4.486908 0.150436 2.165880
H -5.888554 0.404516 1.087105
H -4.968585 -1.125862 1.002293
H -4.057139 2.572240 -0.683083
H -4.521776 1.288084 -1.845107
H -5.643903 1.763039 -0.538428
H 1.803334 -1.789354 0.369221
H 3.841505 -1.942862 -0.655263
H 3.999837 -1.201862 -2.291105
H 4.371861 1.055425 -1.082861
H 5.691302 -0.173331 -0.924662
H 6.253786 1.115526 1.265292
H 4.958879 1.054518 2.521228
H 4.775509 2.137934 1.089146


