%chk=000080745.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080745

0 1
 O   0.1626000      -1.906800     -0.2876000    
 O   -3.132700       2.276800      0.1471000    
 O   -1.206700       3.939100     -4.5200001E-02
 O   -1.763900      -3.569300     -9.7599998E-02
 N    2.252900     -0.3971000     -0.4993000    
 N   -5.222900      0.7671000      0.3600000    
 C  -6.3800000E-02  0.4365000     -0.2271000    
 C  -0.9300000       1.525900     -0.1129000    
 C   -2.906700     -6.6699997E-02  8.5199997E-02
 C   -2.040400      -1.156000     -2.9500000E-02
 C  -0.5873000     -0.9442000     -0.1898000    
 C   -2.383000       1.314100      4.7699999E-02
 C    1.311600      0.6509000     -0.3781000    
 C  -0.4210000       2.829700     -0.1502000    
 C   -4.281800     -0.2810000      0.2370000    
 C   -2.549400      -2.459800      7.8999996E-03
 C    1.814500       1.951700     -0.4148000    
 C   0.9501000       3.038700     -0.3012000    
 C   -4.784800      -1.581900      0.2736000    
 C   -3.920600      -2.668900      0.1594000    
 C    3.605100     -0.5074000     -0.1303000    
 C    4.467000      -1.329400     -0.8607000    
 C    4.093800      0.2050000      0.9677000    
 C    5.808800      -1.438200     -0.4955000    
 C    5.435600      9.6199997E-02   1.332800    
 C    6.293200     -0.7254000      0.6012000    
 H    2.870900       2.158400     -0.5628000    
 H    1.351600       4.048100     -0.3380000    
 H    1.894700      -1.212800     -0.9867000    
 H   -5.850100      -1.766000      0.3910000    
 H   -4.323300      -3.677900      0.1893000    
 H   -4.928200       1.732800      0.3410000    
 H   -6.205700      0.5521000      0.4669000    
 H   -2.138400       3.693800      5.3900000E-02
 H    4.102500      -1.889500      -1.718200    
 H    3.445300      0.8323000       1.573300    
 H  -0.8328000      -3.323900     -0.2015000    
 H    6.476500      -2.078000      -1.065100    
 H    5.811700      0.6463000       2.190400    
 H    7.337600     -0.8112000      0.8865000    


%chk=000080745-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080745

0 1
O 0.175184 -2.017079 -0.208119
O -3.218124 2.377639 0.104626
O -1.300003 3.938904 0.027020
O -1.745782 -3.580566 -0.129404
N 2.225646 -0.446077 -0.166112
N -5.275574 0.774099 0.188472
C -0.067354 0.394286 -0.083749
C -0.978369 1.511246 -0.026582
C -2.965770 -0.032203 0.043706
C -2.059101 -1.150740 -0.035300
C -0.617000 -0.948212 -0.109556
C -2.424411 1.311433 0.041863
C 1.356803 0.633636 -0.120555
C -0.473003 2.848943 -0.032865
C -4.383584 -0.269809 0.114840
C -2.568960 -2.487125 -0.047904
C 1.821020 1.994006 -0.169756
C 0.934080 3.066436 -0.128393
C -4.858187 -1.628084 0.107034
C -3.978396 -2.704380 0.027230
C 3.635790 -0.468199 -0.007932
C 4.361563 -1.470583 -0.710079
C 4.335519 0.402409 0.873502
C 5.757039 -1.585226 -0.549606
C 5.734028 0.285418 1.018456
C 6.455265 -0.701731 0.307348
H 2.890223 2.187747 -0.282351
H 1.291064 4.098986 -0.181648
H 1.716450 -1.357052 -0.268973
H -5.937843 -1.809934 0.163683
H -4.339056 -3.736954 0.019253
H -4.872638 1.726648 0.186260
H -6.276991 0.599776 0.235702
H -2.279961 3.547866 0.074995
H 3.823945 -2.145001 -1.386192
H 3.786611 1.130560 1.478204
H -0.767502 -3.195412 -0.181238
H 6.301025 -2.360919 -1.099663
H 6.258708 0.957854 1.706344
H 7.540148 -0.788504 0.427240


