%chk=000029522.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029522

0 1
 O    2.033600       1.548000      -1.376200    
 O   0.7413000     -0.8705000     -0.9656000    
 O   -1.889400      5.6400001E-02  -1.176100    
 O    1.275900      -2.557800      -2.437600    
 O   -3.835100     -0.4576000      -2.293900    
 N    2.917800      -4.587100      0.9373000    
 N   -5.973100      0.4673000       1.232200    
 C   0.3569000     -2.7799999E-02  -2.054300    
 C   0.6443000       1.414100      -1.656700    
 C   -1.125100     -0.2424000      -2.339700    
 C    2.387900       2.504100     -0.4620000    
 C    3.062500       2.156900      0.7087000    
 C    2.066800       3.838300     -0.7121000    
 C    1.181600      -2.109700      -1.305400    
 C    3.416000       3.143800       1.628800    
 C    3.414500      0.7340000      0.9931000    
 C    2.420400       4.825200      0.2080000    
 C    1.546400      -2.882100     -9.0999998E-02
 C    3.094900       4.478000       1.378400    
 C   -3.236700     -9.4300002E-02  -1.293200    
 C   -3.915400      0.2481000     -1.7800000E-02
 C   0.9036000      -2.657600       1.121400    
 C    2.537700      -3.849400     -0.1300000    
 C   -3.187700      0.6571000       1.094200    
 C   -5.293600      0.1703000      0.1018000    
 C    1.266800      -3.396600       2.241900    
 C   -3.851100      0.9712000       2.275200    
 C    2.270700      -4.340800       2.098500    
 C   -5.232300      0.8611000       2.292200    
 H   0.9537000     -0.2580000      -2.946000    
 H   0.3750000       2.095900      -2.471300    
 H   6.2799998E-02   1.680000     -0.7642000    
 H   -1.445800      0.4019000      -3.166700    
 H   -1.302500      -1.289400      -2.612400    
 H    1.549200       4.125600      -1.623200    
 H    3.940400       2.889400       2.546000    
 H    4.134100      0.6502000       1.814600    
 H    3.872500      0.2630000      0.1169000    
 H    2.516100      0.1749000       1.272200    
 H    2.172100       5.864300      1.2400000E-02
 H    3.370200       5.246600       2.094700    
 H   0.1109000      -1.920600       1.217000    
 H    3.078900      -4.070500      -1.044900    
 H   -2.105000      0.7429000       1.081000    
 H   -5.921500     -0.1416000     -0.7271000    
 H   0.7781000      -3.240200       3.196700    
 H   -3.304800       1.292000       3.154700    
 H    2.590300      -4.943800       2.941900    
 H   -5.796900       1.094400       3.188900    


%chk=000029522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029522

0 1
O 1.997844 1.409818 -0.721133
O 0.630490 -1.149021 -0.398493
O -2.036062 0.002843 -1.015321
O 1.268680 -2.691623 -2.031568
O -3.694157 -0.068313 -2.654150
N 2.215292 -5.491489 1.047622
N -6.602503 0.937815 0.305590
C 0.352882 -0.155193 -1.477102
C 0.552452 1.221817 -0.852825
C -1.042496 -0.365843 -2.058569
C 2.451976 2.590307 -0.094160
C 3.867229 2.682862 0.051199
C 1.593579 3.619762 0.358177
C 1.126214 -2.391044 -0.820995
C 4.386805 3.843574 0.666503
C 4.759904 1.564124 -0.445059
C 2.147611 4.768641 0.969905
C 1.445799 -3.277407 0.331451
C 3.544088 4.884823 1.126633
C -3.364960 0.099456 -1.456261
C -4.294256 0.424229 -0.339370
C 1.331569 -2.855478 1.680560
C 1.891352 -4.600850 0.068453
C -3.871233 0.524721 1.010572
C -5.667142 0.637075 -0.638613
C 1.664272 -3.767769 2.702962
C -4.829933 0.834653 1.997062
C 2.098148 -5.065953 2.343034
C -6.174470 1.032709 1.601927
H 1.086524 -0.319936 -2.288580
H 0.118831 2.000082 -1.514635
H 0.055446 1.272314 0.134266
H -1.197970 0.271425 -2.948447
H -1.196955 -1.417260 -2.353374
H 0.508367 3.546437 0.239525
H 5.473358 3.930460 0.786034
H 5.820361 1.782045 -0.233170
H 4.644398 1.413197 -1.534306
H 4.495775 0.601625 0.030274
H 1.482906 5.566760 1.318461
H 3.976210 5.773062 1.599203
H 0.996555 -1.839412 1.904745
H 1.988717 -4.946216 -0.966319
H -2.821466 0.355613 1.264996
H -6.016081 0.559983 -1.673926
H 1.594159 -3.484820 3.757524
H -4.548916 0.919946 3.051029
H 2.366240 -5.801651 3.109815
H -6.947537 1.274299 2.340152


