%chk=000028874.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028874

0 1
 O   -1.623400      0.3479000     -0.1127000    
 N   -5.204700       1.169000      4.2900000E-02
 N  -0.4822000       1.157200     -0.1210000    
 C    1.905400      0.9944000     -0.2004000    
 C   0.4282000      -1.083100     -0.2844000    
 C   0.5586000      0.3869000     -0.1788000    
 C    2.928600      0.5793000      0.6624000    
 C    1.119800      -1.958200      0.5636000    
 C    2.762900     -0.4364000       1.708200    
 C    1.984400      -1.525600       1.666900    
 C   -4.012700      0.3381000     -3.9099999E-02
 C    2.121400       2.033500      -1.118600    
 C  -0.4308000      -1.580200      -1.276800    
 C    4.169300       1.235500      0.5866000    
 C   0.9145000      -3.339700      0.4048000    
 C   -2.758800       1.197900     -4.9300000E-02
 C    3.363200       2.660800      -1.187000    
 C  -0.6085000      -2.953500      -1.427200    
 C    4.387400       2.261800     -0.3350000    
 C   6.3299999E-02  -3.833500     -0.5858000    
 C   -5.171700       2.005300       1.245400    
 C   -6.414300      0.3425000      3.5399999E-02
 H    3.369100     -0.2894000       2.600700    
 H    2.010100      -2.191500       2.527900    
 H   -4.028700     -0.2615000     -0.9586000    
 H   -3.957900     -0.3818000      0.7889000    
 H    1.332300       2.357300      -1.792800    
 H  -0.9292000     -0.9235000      -1.986600    
 H   -2.657700       1.792300      0.8641000    
 H   -2.759700       1.870400     -0.9161000    
 H    4.985500      0.9543000       1.249800    
 H    1.420200      -4.052400       1.053900    
 H    3.530000       3.461200      -1.901800    
 H   -1.262300      -3.335800      -2.205300    
 H    5.355200       2.752500     -0.3809000    
 H  -7.4699998E-02  -4.905000     -0.6974000    
 H   -4.449000       2.822000       1.155100    
 H   -4.959400       1.427800       2.152500    
 H   -6.138600       2.503400       1.389300    
 H   -6.458000     -0.2662000     -0.8747000    
 H   -7.311400      0.9715000      3.3700000E-02
 H   -6.462200     -0.3273000      0.9018000    


%chk=000028874-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028874

0 1
O -1.732509 0.281286 -0.190326
N -5.291977 1.373787 0.110092
N -0.450594 0.980575 -0.154053
C 1.896508 0.901439 -0.229554
C 0.546356 -1.323676 -0.324660
C 0.595958 0.164256 -0.203444
C 2.990852 0.570257 0.634958
C 1.306394 -2.185522 0.531872
C 3.007174 -0.564158 1.563181
C 2.284910 -1.731603 1.525518
C -4.100911 0.492871 0.136090
C 2.005958 2.027137 -1.089223
C -0.313494 -1.899602 -1.298809
C 4.142756 1.413658 0.619932
C 1.118245 -3.596449 0.414979
C -2.797643 1.293788 0.000314
C 3.162996 2.830702 -1.104676
C -0.445988 -3.295323 -1.428426
C 4.239267 2.523483 -0.237526
C 0.263814 -4.151800 -0.552370
C -5.407755 2.232669 1.308124
C -6.532692 0.609132 -0.134721
H 3.767043 -0.490781 2.353965
H 2.535518 -2.480946 2.289491
H -4.165284 -0.197590 -0.725416
H -4.053935 -0.136785 1.060601
H 1.157010 2.267830 -1.736008
H -0.892904 -1.236723 -1.946338
H -2.560928 1.889304 0.900282
H -2.844210 1.962289 -0.879133
H 4.974364 1.173389 1.293323
H 1.680586 -4.255834 1.087052
H 3.222807 3.693291 -1.777111
H -1.112929 -3.713098 -2.190295
H 5.141377 3.144906 -0.233109
H 0.151082 -5.238792 -0.628315
H -4.530498 2.895961 1.395439
H -5.497703 1.648099 2.259831
H -6.302561 2.873058 1.213706
H -6.445688 0.051257 -1.083959
H -7.384773 1.306425 -0.225269
H -6.772502 -0.123968 0.677592


