%chk=000130816.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130816

0 1
 O   -1.336800     -0.5192000      -1.456300    
 O   0.8955000     -0.1694000       1.818400    
 O    4.730200      0.7177000     -0.7217000    
 O    5.727300     -0.9964000      0.3554000    
 O  -0.5839000       4.871900      0.6431000    
 O  -0.8635000       3.627500      -1.237900    
 N    2.305100      7.4000001E-02 -9.3999999E-03
 N   -1.108000      0.9675000      0.3122000    
 N   -4.015100      0.9089000     -0.6268000    
 C   -3.786300      -1.531500     -0.4059000    
 C   -5.219300      -1.817500      9.2500001E-02
 C   -3.231500     -0.1573000      2.7000001E-03
 C    3.301500     -0.8830000      0.4117000    
 C    2.928500      -2.295400     -8.7600000E-02
 C   0.2581000       1.357400      4.7899999E-02
 C   -1.797400      5.2800000E-02 -0.4700000    
 C    1.171000      0.3532000      0.7403000    
 C   0.5495000       2.776600      0.5283000    
 C   -5.726800      -3.193500     -0.3409000    
 C   -5.265500      -1.708400       1.619200    
 C    3.826900      -3.378800      0.5154000    
 C    2.911700      -2.410800      -1.614900    
 C    4.700400     -0.4223000      1.1600000E-02
 C  -0.3716000       3.776200     -0.1269000    
 H   -3.769100      -1.629600      -1.500200    
 H   -3.109400      -2.310800     -2.9800000E-02
 H   -5.909400      -1.077000     -0.3285000    
 H   -3.251000     -4.2199999E-02   1.090900    
 H    3.297100     -0.8815000       1.509700    
 H    1.906800      -2.508800      0.2572000    
 H   0.4139000       1.295500      -1.036700    
 H    2.445800      0.5492000     -0.8963000    
 H   -1.558200       1.346200       1.140600    
 H   0.4087000       2.834200       1.614900    
 H    1.583500       3.062100      0.3068000    
 H   -5.716000      -3.281500      -1.432400    
 H   -6.755000      -3.357300     -1.5000000E-03
 H   -5.101200      -3.993500      6.9200002E-02
 H   -6.238900      -2.038100       1.999500    
 H   -5.134100     -0.6765000       1.957500    
 H   -4.496500      -2.330500       2.089700    
 H    3.419200      -4.372700      0.2993000    
 H    3.889400      -3.276900       1.603700    
 H    4.840400      -3.349200      0.1045000    
 H    3.901900      -2.221500      -2.042200    
 H    2.602300      -3.416000      -1.921500    
 H    2.207200      -1.701200      -2.060300    
 H   -4.975600      0.8786000     -0.2889000    
 H   -3.650700       1.815800     -0.3353000    
 H    5.647300      0.9905000     -0.9377000    
 H   -1.177500       5.518200      0.2048000    


%chk=000130816-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130816

0 1
O -0.566983 0.501856 -1.737481
O 2.065373 0.828120 1.905615
O 2.858162 -0.635078 -2.628130
O 4.669342 -1.723902 -1.669716
O -0.585529 5.212263 1.891198
O -1.944296 3.345268 2.041780
N 1.858649 0.179327 -0.326768
N -0.930418 1.342822 0.398471
N -3.439900 0.300400 -2.049274
C -2.760329 -1.363721 -0.332611
C -4.162309 -2.005684 -0.177505
C -2.793452 0.138928 -0.734374
C 2.864390 -0.885613 -0.210165
C 2.238627 -2.225724 0.345878
C 0.396477 1.994041 0.476971
C -1.343342 0.681234 -0.733003
C 1.522126 0.941429 0.759546
C 0.469906 3.064022 1.597743
C -4.025744 -3.541139 -0.045442
C -4.937293 -1.424181 1.028779
C 3.329198 -3.215990 0.808429
C 1.257393 -2.872163 -0.657815
C 3.581617 -1.124105 -1.532373
C -0.801063 3.837843 1.846302
H -2.189277 -1.908399 -1.112735
H -2.195554 -1.475657 0.616467
H -4.728017 -1.772595 -1.100761
H -3.388207 0.698400 0.013361
H 3.621294 -0.558137 0.526842
H 1.670587 -1.896017 1.238376
H 0.594443 2.447574 -0.513935
H 1.283579 0.265349 -1.184795
H -1.606140 1.574333 1.139635
H 0.748827 2.532244 2.531849
H 1.291252 3.762471 1.379031
H -3.503548 -3.974881 -0.919111
H -5.018370 -4.023052 0.029813
H -3.451045 -3.812706 0.862010
H -5.922515 -1.915151 1.134240
H -5.122342 -0.339845 0.920012
H -4.378155 -1.585091 1.971736
H 2.859876 -4.110492 1.257403
H 3.988321 -2.759224 1.569396
H 3.963027 -3.544878 -0.033623
H 1.794441 -3.293050 -1.528842
H 0.711909 -3.701750 -0.172074
H 0.512457 -2.146505 -1.031655
H -2.853923 -0.093855 -2.797654
H -3.687902 1.273883 -2.262724
H 3.344270 -0.845853 -3.470550
H -1.438989 5.678329 2.109635


