%chk=000028876.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028876

0 1
 O   -1.816700      0.6271000      5.0000001E-02
 N  -0.6010000       1.319400      3.7099998E-02
 N   -5.288800       1.785100      0.4068000    
 C    1.753400      0.9280000     -0.1550000    
 C   7.2700001E-02 -0.9856000     -0.2904000    
 C   0.3541000      0.4555000     -0.1088000    
 C    2.761600      0.3636000      0.6379000    
 C   0.7043000      -1.973600      0.4767000    
 C    2.534100     -0.6917000       1.631700    
 C    1.649100      -1.694700       1.563600    
 C    2.038000       1.993800      -1.022400    
 C  -0.8689000      -1.335700      -1.270500    
 C    4.058200      0.8981000      0.5449000    
 C   0.3553000      -3.316200      0.2502000    
 C    3.333100       2.499200      -1.109800    
 C   -1.189200      -2.673500      -1.489400    
 C    4.343400       1.951300     -0.3267000    
 C  -0.5781000      -3.664000     -0.7284000    
 C   -2.857600       1.579100      0.2100000    
 C   -4.190300      0.8476000      0.2268000    
 C   -6.566600       1.087200      0.4657000    
 H    3.185300     -0.6585000       2.503700    
 H    1.640200      -2.410100       2.384300    
 H    1.260600       2.433400      -1.642600    
 H   -1.325000     -0.5920000      -1.920300    
 H    4.866400      0.4990000       1.155200    
 H   0.8109000      -4.112700      0.8360000    
 H    3.552400       3.320600      -1.785400    
 H   -1.907100      -2.942600      -2.258400    
 H    5.353300       2.346400     -0.3873000    
 H  -0.8273000      -4.708100     -0.8934000    
 H   -2.709100       2.123400       1.151000    
 H   -2.824600       2.294900     -0.6208000    
 H   -4.305100      0.2843000     -0.7080000    
 H   -4.176400      0.1077000       1.037000    
 H   -5.301700       2.451300     -0.3649000    
 H   -6.599400      0.3909000       1.310000    
 H   -6.767400      0.5385000     -0.4602000    
 H   -7.372200       1.814200      0.6078000    


%chk=000028876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028876

0 1
O -1.965504 0.541128 -0.112513
N -0.624476 1.119819 -0.057007
N -5.336534 2.043619 0.362691
C 1.704165 0.842524 -0.181870
C 0.164166 -1.252548 -0.349120
C 0.345250 0.218356 -0.162782
C 2.781622 0.378238 0.641470
C 0.864698 -2.216057 0.448092
C 2.719114 -0.797815 1.513820
C 1.898478 -1.896258 1.437692
C 1.894304 1.995888 -0.989366
C -0.763842 -1.706640 -1.325277
C 4.000927 1.121320 0.640927
C 0.553135 -3.598707 0.271797
C 3.115206 2.698991 -0.992374
C -1.020028 -3.078336 -1.513801
C 4.176535 2.260026 -0.164437
C -0.367568 -4.032910 -0.696635
C -2.923844 1.622211 0.212764
C -4.321784 0.998022 0.124712
C -6.716717 1.543711 0.499605
H 3.498174 -0.828477 2.288455
H 2.099165 -2.700821 2.159085
H 1.057946 2.338514 -1.605766
H -1.297206 -0.967987 -1.928841
H 4.820873 0.779213 1.283949
H 1.071081 -4.334852 0.898231
H 3.236480 3.585267 -1.624502
H -1.737734 -3.400926 -2.275794
H 5.128047 2.802559 -0.149341
H -0.575850 -5.101443 -0.818397
H -2.726825 2.008132 1.228166
H -2.797688 2.448053 -0.516236
H -4.432569 0.476657 -0.858530
H -4.424588 0.226381 0.910411
H -5.267308 2.804875 -0.325354
H -6.785877 0.892542 1.390501
H -7.085033 0.954684 -0.376284
H -7.404490 2.393645 0.655563


