%chk=000050694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050694

0 1
 O   0.2858000     -0.1623000      0.2263000    
 O    1.184000       1.803400       1.019400    
 N   -3.717800      0.9041000     -0.4883000    
 N    5.996700       1.130900     -0.7879000    
 C   -3.460400     -0.3051000      0.3038000    
 C   -4.442000      -1.422800     -7.4400000E-02
 C   -5.889300     -0.9612000      7.3500000E-02
 C   -6.116000      0.3420000     -0.6851000    
 C   -5.082200       1.395700     -0.2954000    
 C   -2.019600     -0.7567000      7.1999997E-02
 C   -1.027500      0.3154000      0.4834000    
 C    1.303800      0.6858000      0.5420000    
 C    2.618300      7.1900003E-02  0.2258000    
 C    3.670200      0.8919000     -0.1286000    
 C    2.747600      -1.300200      0.2969000    
 C    4.905000      0.3147000     -0.4246000    
 C    3.982300      -1.877400      7.9999998E-04
 C    5.061000      -1.070000     -0.3598000    
 H   -3.582200     -6.6900000E-02   1.368900    
 H   -4.274900      -2.300800      0.5608000    
 H   -4.270300      -1.743000      -1.110500    
 H   -6.118300     -0.8110000       1.135700    
 H   -6.570400      -1.735300     -0.2967000    
 H   -6.059000      0.1510000      -1.764300    
 H   -7.124500      0.7184000     -0.4803000    
 H   -5.226100       2.292800     -0.9074000    
 H   -5.223400       1.701900      0.7481000    
 H   -1.854500      -1.023400     -0.9806000    
 H   -1.815300      -1.672900      0.6412000    
 H   -3.575800      0.6950000      -1.476800    
 H   -1.179300       1.237700     -8.8100001E-02
 H   -1.131600      0.5354000       1.552500    
 H    3.547400       1.970500     -0.1818000    
 H    1.927600      -1.949600      0.5882000    
 H    4.104900      -2.955300      5.4299999E-02
 H    6.018500      -1.531900     -0.5870000    
 H    6.891400      0.7123000      -1.005000    
 H    5.883900       2.134600     -0.8376000    


%chk=000050694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050694

0 1
O 0.289263 -0.157664 0.098298
O 1.224496 1.902849 0.650653
N -3.832350 0.795902 -0.715242
N 6.276615 1.072640 -0.001088
C -3.524633 -0.222234 0.331676
C -4.538719 -1.401524 0.333667
C -5.992342 -0.876472 0.437243
C -6.292496 0.164622 -0.669054
C -5.230292 1.296498 -0.644532
C -2.069118 -0.711124 0.167315
C -1.060645 0.422099 0.360203
C 1.370002 0.709918 0.278130
C 2.678878 0.055128 -0.018829
C 3.843144 0.845039 0.124156
C 2.768676 -1.300980 -0.428470
C 5.126177 0.294659 -0.140590
C 4.043738 -1.846633 -0.690224
C 5.211810 -1.069120 -0.551453
H -3.617453 0.299995 1.309505
H -4.317457 -2.087589 1.175627
H -4.414838 -1.984757 -0.603449
H -6.134901 -0.400135 1.429814
H -6.708980 -1.717987 0.381786
H -6.274860 -0.331688 -1.661568
H -7.306312 0.591009 -0.534612
H -5.389371 2.005846 -1.477620
H -5.332887 1.871745 0.297764
H -1.936488 -1.150898 -0.842267
H -1.866733 -1.516913 0.897747
H -3.628438 0.410291 -1.651872
H -1.242530 1.254905 -0.339669
H -1.078581 0.826909 1.389118
H 3.729685 1.887970 0.442503
H 1.859562 -1.896986 -0.533800
H 4.132699 -2.891957 -1.007032
H 6.194018 -1.511546 -0.760044
H 7.195398 0.684322 -0.190809
H 6.214264 2.043464 0.290418


