%chk=000050884.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050884

0 1
 O  -0.2020000       1.170000     -0.7165000    
 O   -1.024100      0.1605000       1.163900    
 N    2.170200       2.621600       1.720300    
 N    1.970300       3.353100      -1.208500    
 N   -2.357600      0.5916000     -0.7112000    
 C    1.088200       1.252600     -9.0499997E-02
 C    1.550700     -0.1926000      0.2405000    
 C   0.9125000       2.083300       1.202500    
 C    2.047900       1.900000      -1.121900    
 C    1.297200      -1.219400     -0.8739000    
 C    1.854800      -2.574400     -0.5126000    
 C    2.907100       1.588500       2.447300    
 C    1.915600       3.772700       2.585600    
 C    3.181600       3.898700      -1.823900    
 C   0.7872000       3.762200      -1.967700    
 C   -1.191700      0.5918000      2.9600000E-02
 C    3.165600      -2.903800     -0.8579000    
 C    1.059800      -3.497300      0.1670000    
 C    3.681200      -4.156100     -0.5238000    
 C    1.575600      -4.749600      0.5012000    
 C    2.886300      -5.078900      0.1556000    
 C   -3.626900      9.4899997E-02 -0.3367000    
 C   -4.699300      0.1814000      -1.224500    
 C   -3.807000     -0.4824000      0.9203000    
 C   -5.951900     -0.3090000     -0.8553000    
 C   -5.059600     -0.9730000       1.289500    
 C   -6.131900     -0.8862000      0.4016000    
 H    2.630800     -0.1972000      0.4121000    
 H    1.123300     -0.5648000       1.178200    
 H   0.2392000       2.918300      0.9585000    
 H   0.4009000       1.555900       2.012900    
 H    3.069800       1.634500     -0.8180000    
 H    1.902900       1.449700      -2.113500    
 H   0.2289000      -1.331400      -1.087300    
 H    1.754600     -0.8853000      -1.813000    
 H    3.687100       2.043800       3.071200    
 H    2.274800      0.9905000       3.112800    
 H    3.460600      0.9367000       1.772800    
 H    1.304900       3.507500       3.456300    
 H    2.857600       4.204200       2.942500    
 H    1.404100       4.568600       2.032600    
 H    4.065500       3.652100      -1.224900    
 H    3.132800       4.992600      -1.866400    
 H    3.334300       3.520000      -2.841000    
 H  -0.1389000       3.501100      -1.448700    
 H   0.7640000       3.326400      -2.973100    
 H   0.7641000       4.853300      -2.074500    
 H    3.795400      -2.192400      -1.385500    
 H   3.7999999E-02  -3.251200      0.4435000    
 H   -2.298900      0.9983000      -1.641600    
 H    4.702000      -4.412400     -0.7921000    
 H   0.9569000      -5.468000       1.030900    
 H    3.287900      -6.053800      0.4161000    
 H   -4.572400      0.6287000      -2.207100    
 H   -3.024200     -0.5845000       1.659100    
 H   -6.786900     -0.2416000      -1.546500    
 H   -5.201200      -1.422900       2.267900    
 H   -7.107100      -1.268300      0.6890000    


%chk=000050884-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050884

0 1
O -0.291612 1.186310 -0.491461
O -1.164556 -0.095794 1.311826
N 2.455699 2.299096 1.929073
N 1.677978 3.464059 -1.224359
N -2.436395 0.536145 -0.581715
C 1.133727 1.280702 0.043653
C 1.705883 -0.142009 0.272667
C 1.097757 2.110421 1.362374
C 1.910928 2.006252 -1.084254
C 1.673186 -1.085292 -0.961933
C 2.051095 -2.511767 -0.583549
C 2.694078 1.566951 3.187920
C 2.893607 3.707677 1.999830
C 2.813657 4.124929 -1.905238
C 0.391142 3.819280 -1.861794
C -1.287925 0.480300 0.199750
C 3.297793 -3.068142 -0.965009
C 1.162789 -3.308417 0.187602
C 3.652476 -4.384881 -0.588982
C 1.511191 -4.624227 0.563047
C 2.759283 -5.168390 0.176548
C -3.716510 -0.017511 -0.304863
C -4.730266 0.171106 -1.283344
C -4.011835 -0.734895 0.884998
C -6.022948 -0.350712 -1.077292
C -5.312232 -1.250481 1.074855
C -6.324122 -1.066690 0.104894
H 2.747990 -0.015511 0.620774
H 1.141123 -0.616016 1.093559
H 0.644791 3.090416 1.125043
H 0.437255 1.588311 2.081163
H 2.978406 1.870611 -0.832484
H 1.717545 1.468653 -2.044849
H 0.653125 -1.069391 -1.393463
H 2.359282 -0.715331 -1.746307
H 3.766737 1.621332 3.451258
H 2.108708 1.972191 4.051546
H 2.427913 0.503135 3.068095
H 2.367889 4.292265 2.796901
H 3.978782 3.751823 2.211121
H 2.697329 4.192630 1.029116
H 3.748051 3.937938 -1.346223
H 2.642353 5.216179 -1.933770
H 2.964306 3.775657 -2.958241
H -0.444467 3.398168 -1.283249
H 0.308663 3.440102 -2.912698
H 0.288656 4.919383 -1.885141
H 3.995018 -2.466058 -1.561469
H 0.193704 -2.892446 0.492671
H -2.326428 1.040920 -1.463921
H 4.620870 -4.798138 -0.894200
H 0.811083 -5.225916 1.154164
H 3.030122 -6.189788 0.467257
H -4.504729 0.724784 -2.204066
H -3.232063 -0.877913 1.635433
H -6.793674 -0.197805 -1.840869
H -5.533309 -1.802862 1.995208
H -7.328301 -1.472743 0.265599


