%chk=000050830.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050830

0 1
 O    1.335400     -0.4657000     -0.1736000    
 O    2.229100      -1.570500      -1.984700    
 N   -2.340500     -0.4647000     -4.8599999E-02
 N    7.365000      0.5456000       1.206500    
 C   -3.300300      0.1020000      0.9000000    
 C   -3.112500       1.630600       1.001400    
 C   -4.744100     -0.2825000      0.5248000    
 C   -3.384300       2.413100     -0.2894000    
 C   -5.038900      -1.788300      0.4595000    
 C   -3.112800       3.906400     -9.4800003E-02
 C   -6.501100      -2.113900      0.1542000    
 C  -0.9766000     -0.1870000      0.3722000    
 C   1.9700000E-02 -0.7751000     -0.6141000    
 C   -3.347500       4.687600      -1.377900    
 C   -6.735600      -3.616200      0.1046000    
 C    2.351500     -0.9255000     -0.9550000    
 C    3.668100     -0.5390000     -0.3879000    
 C    4.755300      -1.359700     -0.6066000    
 C    3.763400      0.6290000      0.3410000    
 C    5.992000     -0.9970000     -7.3100001E-02
 C    5.000100      0.9919000      0.8744000    
 C    6.114600      0.1789000      0.6672000    
 H   -3.106600     -0.3240000       1.894100    
 H   -3.826000       1.992400       1.756300    
 H   -2.136900       1.899900       1.418800    
 H   -5.002100      0.1440000     -0.4523000    
 H   -5.427600      0.1744000       1.252100    
 H   -4.425600       2.281700     -0.6025000    
 H   -2.749000       2.035900      -1.098900    
 H   -4.417000      -2.255000     -0.3128000    
 H   -4.758000      -2.246600       1.415700    
 H   -2.466800      -1.473300     -0.1141000    
 H   -2.076900       4.057500      0.2307000    
 H   -3.762500       4.303300      0.6938000    
 H   -7.147500      -1.672400      0.9213000    
 H   -6.787300      -1.670800     -0.8066000    
 H  -0.7530000      0.8831000      0.4098000    
 H  -0.7776000     -0.5916000       1.372500    
 H  -0.1381000     -0.3488000      -1.612600    
 H  -9.7499996E-02  -1.864400     -0.6680000    
 H   -3.148300       5.751400      -1.215700    
 H   -2.687300       4.336500      -2.177400    
 H   -4.383200       4.583500      -1.716500    
 H   -6.486300      -4.084100       1.062400    
 H   -6.126100      -4.083300     -0.6756000    
 H   -7.787000      -3.828200     -0.1136000    
 H    4.671700      -2.279200      -1.178300    
 H    2.914300       1.285600      0.5052000    
 H    6.852800      -1.639400     -0.2407000    
 H    5.083400       1.912000       1.447200    
 H    8.173500     -4.3000001E-02   1.056100    
 H    7.454500       1.398300       1.742800    


%chk=000050830-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050830

0 1
O 1.426702 -0.233428 -0.119160
O 2.269388 -0.884200 -2.195943
N -2.296880 -0.086903 -0.087636
N 7.658289 -0.391378 1.428407
C -3.376123 0.381748 0.825325
C -3.435859 1.934445 0.861664
C -4.724532 -0.245131 0.388802
C -3.788880 2.602425 -0.484796
C -4.860590 -1.751972 0.711389
C -3.647127 4.140875 -0.442329
C -6.217744 -2.344029 0.266082
C -0.917887 -0.012068 0.434940
C 0.065143 -0.258686 -0.713419
C -4.010298 4.816177 -1.782548
C -6.356113 -3.846400 0.593218
C 2.476329 -0.571778 -0.993199
C 3.797535 -0.514257 -0.331669
C 4.953798 -0.830928 -1.096193
C 3.958276 -0.155576 1.034753
C 6.231513 -0.792517 -0.521634
C 5.232298 -0.114305 1.620413
C 6.393579 -0.432161 0.851480
H -3.175280 0.038924 1.874434
H -4.171600 2.232193 1.637923
H -2.455169 2.324391 1.205419
H -4.860407 -0.083787 -0.699321
H -5.545243 0.301099 0.895538
H -4.827921 2.345741 -0.775584
H -3.127317 2.182706 -1.267604
H -4.046707 -2.330259 0.223701
H -4.734411 -1.905859 1.803516
H -2.502767 -1.023749 -0.459468
H -2.604105 4.401285 -0.167137
H -4.290870 4.548918 0.364647
H -7.037612 -1.779459 0.755581
H -6.342276 -2.187539 -0.824899
H -0.743822 0.998976 0.844026
H -0.710042 -0.736086 1.259771
H -0.015958 0.524147 -1.487420
H -0.096476 -1.240426 -1.198681
H -3.896211 5.914842 -1.729258
H -3.361036 4.446895 -2.598673
H -5.057905 4.598211 -2.065045
H -6.268030 -4.025137 1.681531
H -5.565019 -4.435709 0.091976
H -7.333284 -4.244593 0.263543
H 4.821166 -1.105969 -2.148021
H 3.071294 0.089541 1.625833
H 7.113517 -1.039119 -1.125059
H 5.342512 0.164025 2.675612
H 8.486981 -0.615185 0.884725
H 7.779179 -0.133570 2.403752


