%chk=000022259.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022259

0 1
 O   -7.950900       2.443800     -0.1997000    
 N   -9.609600      0.9223000      0.2637000    
 C    3.727000      -2.642000     -0.4854000    
 C    4.601500      -2.044000      0.5774000    
 C    4.847900      -3.446700      0.1044000    
 C    2.313400      -3.003600     -0.1487000    
 C    5.562800     -0.9766000      0.2064000    
 C    1.359600      -1.829500     -0.3697000    
 C    5.015200      0.4456000      0.3963000    
 C  -8.6599998E-02  -2.219400     -6.2100001E-02
 C    6.016100       1.529700     -1.3000000E-02
 C   -1.035500      -1.033700     -0.2521000    
 C    5.420400       2.928400      0.1628000    
 C   -2.485700      -1.435500      2.5800001E-02
 C    6.406100       4.011700     -0.2747000    
 C   -3.481800     -0.2875000     -0.1613000    
 C   -4.935100     -0.6955000      9.2900001E-02
 C    5.830400       5.403900     -7.0500001E-02
 C   -5.876700      0.5070000     -3.6600001E-02
 C   -7.340300      0.1254000      0.1797000    
 C   -8.298100       1.296400      6.4099997E-02
 H    3.840800      -2.313500      -1.511500    
 H    4.210500      -1.925200       1.580700    
 H    4.605600      -4.256100      0.7826000    
 H    5.711400      -3.640000     -0.5211000    
 H    2.235800      -3.348400      0.8900000    
 H    2.011000      -3.844700     -0.7843000    
 H    6.461000      -1.090800      0.8262000    
 H    5.891300      -1.094700     -0.8343000    
 H    1.661300     -0.9885000      0.2670000    
 H    1.436000      -1.481500      -1.407400    
 H    4.095800      0.5548000     -0.1929000    
 H    4.729900      0.5857000       1.446400    
 H  -0.1586000      -2.583600      0.9700000    
 H  -0.3907000      -3.044000     -0.7182000    
 H    6.926300       1.435700      0.5914000    
 H    6.305600       1.382400      -1.060500    
 H  -0.7458000     -0.2167000      0.4195000    
 H  -0.9520000     -0.6551000      -1.277900    
 H    5.148000       3.080400       1.214400    
 H    4.498400       3.013400     -0.4253000    
 H   -2.566100      -1.815300       1.051900    
 H   -2.765400      -2.261400     -0.6401000    
 H    7.336800       3.921300      0.2973000    
 H    6.660800       3.878100      -1.332400    
 H   -3.210700      0.5306000      0.5177000    
 H   -3.390900      0.1051000      -1.181700    
 H   -5.227300      -1.474200     -0.6215000    
 H   -5.026900      -1.125000       1.097700    
 H    4.913700       5.538600     -0.6533000    
 H    6.551200       6.162800     -0.3906000    
 H    5.596600       5.581100      0.9841000    
 H   -5.762300      0.9569000      -1.030800    
 H   -5.589700       1.277900      0.6895000    
 H   -7.638100     -0.6301000     -0.5576000    
 H   -7.463300     -0.3157000       1.176400    
 H   -10.36040       1.602500      0.2089000    
 H   -9.875000     -3.4699999E-02  0.4739000    


%chk=000022259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022259

0 1
O -7.936154 2.546575 -0.386420
N -9.637522 1.132727 0.298948
C 3.850100 -2.753300 -0.519821
C 4.742354 -2.159914 0.583612
C 5.013256 -3.579758 0.056516
C 2.400556 -3.133200 -0.237719
C 5.701730 -1.013981 0.280563
C 1.430728 -1.935479 -0.374974
C 5.024997 0.374362 0.374353
C -0.041619 -2.298621 -0.079962
C 5.971534 1.545156 0.027981
C -1.008592 -1.106125 -0.255238
C 5.295421 2.929802 0.146037
C -2.483512 -1.459754 0.040991
C 6.230643 4.104448 -0.221412
C -3.447290 -0.268052 -0.154664
C -4.923395 -0.616202 0.142217
C 5.545099 5.482412 -0.096596
C -5.876788 0.580221 -0.067553
C -7.344947 0.222756 0.231006
C -8.304039 1.404875 0.016429
H 4.019552 -2.339550 -1.524646
H 4.278340 -2.107331 1.579342
H 4.765569 -4.430140 0.700780
H 5.901370 -3.732619 -0.565950
H 2.322520 -3.554092 0.786705
H 2.083818 -3.941347 -0.930150
H 6.562694 -1.049780 0.980899
H 6.124509 -1.147933 -0.737344
H 1.758467 -1.125398 0.308780
H 1.505822 -1.523088 -1.403064
H 4.146850 0.395349 -0.303909
H 4.627168 0.516235 1.401188
H -0.122737 -2.689668 0.956132
H -0.356632 -3.126940 -0.749213
H 6.858614 1.512004 0.695314
H 6.356200 1.411678 -1.005108
H -0.690383 -0.275640 0.409253
H -0.927255 -0.720113 -1.293039
H 4.924061 3.069335 1.183068
H 4.399679 2.957782 -0.509567
H -2.568208 -1.834510 1.082814
H -2.798048 -2.297475 -0.616565
H 7.126692 4.074890 0.432032
H 6.598612 3.965514 -1.258636
H -3.130793 0.570933 0.499561
H -3.362935 0.104118 -1.196999
H -5.235784 -1.460286 -0.508904
H -5.007333 -0.982376 1.187627
H 4.664336 5.548161 -0.763190
H 6.233756 6.304989 -0.364352
H 5.194668 5.658176 0.938150
H -5.798106 0.949549 -1.107485
H -5.570128 1.425961 0.576548
H -7.667917 -0.619269 -0.415874
H -7.443514 -0.133518 1.277329
H -10.323613 1.876696 0.173267
H -9.947776 0.219054 0.624812


