%chk=000113842.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113842

0 1
 O   -2.746600      -3.150400      -2.396800    
 O   -3.980500      0.1654000       2.754100    
 O    2.745400      -3.132500       2.417600    
 O    3.989800      0.1509000      -2.754600    
 N   -2.605900      6.4900003E-02 -0.6424000    
 N    2.602400      6.7500003E-02  0.6367000    
 C   -2.272600      -1.818700      -2.159500    
 C   -3.733400     -0.4182000       1.468600    
 C    2.268200      -1.804400       2.167300    
 C    3.739700     -0.4252000      -1.466300    
 C   -3.265600     -0.9116000      -1.508400    
 C   -3.539800      0.5691000      0.3637000    
 C    3.261200     -0.8993000       1.513100    
 C    3.538100      0.5686000     -0.3687000    
 C   -1.701000      -2.998400      -1.428100    
 C   -2.741200     -0.5355000       2.588800    
 C    1.703600      -2.991700       1.443000    
 C    2.752400     -0.5535000      -2.589700    
 C   -2.064500       1.167900      -1.435400    
 C    2.053900       1.175800       1.420400    
 C  -0.9935000       1.920600     -0.6917000    
 C   0.9921000       1.921000      0.6846000    
 C  -8.9999998E-04   1.223400     -3.0000000E-03
 C  -0.9932000       3.315500     -0.6924000    
 C   0.9922000       3.315800      0.6839000    
 C  -3.9999999E-04   4.013200     -4.6000001E-03
 H   -1.689600      -1.357500      -2.944400    
 H   -4.328100      -1.281000       1.204000    
 H    1.680300      -1.338900       2.946000    
 H    4.336500      -1.284200      -1.193600    
 H   -3.960900      -1.539400     -0.9386000    
 H   -3.877500     -0.4192000      -2.275800    
 H   -3.164600       1.499000      0.8105000    
 H   -4.510800      0.8237000     -8.1299998E-02
 H    3.960800      -1.529500      0.9511000    
 H    3.868700     -0.3992000       2.279100    
 H    3.161000       1.493800     -0.8234000    
 H    4.506400      0.8300000      7.8199998E-02
 H  -0.7103000      -3.336300      -1.703300    
 H   -1.957200      -3.141700     -0.3864000    
 H   -1.834100      5.3500000E-02   2.549900    
 H   -2.639300      -1.494400       3.080200    
 H    1.964900      -3.142700      0.4037000    
 H   0.7128000      -3.330500       1.716600    
 H    1.843000      3.2299999E-02  -2.558000    
 H    2.656000      -1.515900      -3.075100    
 H   -1.580800      0.8043000      -2.350800    
 H   -2.866800       1.842100      -1.765000    
 H    2.857800       1.847900       1.751500    
 H    1.573500      0.8136000       2.338200    
 H  -1.3000000E-03  0.1360000     -2.9000000E-03
 H   -1.759800       3.871600      -1.225200    
 H    1.758900       3.872900       1.215700    
 H  -1.9999999E-04   5.099300     -5.1000002E-03


%chk=000113842-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113842

0 1
O -2.995951 -1.776929 -4.232949
O -2.239364 -1.760522 2.360170
O 2.976934 -1.749418 4.251223
O 2.267014 -1.769331 -2.349234
N -2.322155 0.150473 -0.960180
N 2.324497 0.159106 0.963422
C -2.319677 -0.860008 -3.237343
C -2.373470 -1.561400 0.865450
C 2.307850 -0.837392 3.246404
C 2.375902 -1.560396 -0.853880
C -3.136161 -0.558277 -1.989234
C -2.751432 -0.151953 0.435324
C 3.132273 -0.543538 2.001590
C 2.761767 -0.151845 -0.427754
C -1.751953 -2.218965 -3.495083
C -1.031859 -1.864052 1.453304
C 1.737133 -2.194417 3.507882
C 1.041794 -1.851165 -1.464265
C -2.262039 1.610166 -1.228647
C 2.262410 1.620426 1.222619
C -1.097511 2.345927 -0.566467
C 1.100318 2.350726 0.550506
C 0.001595 1.656411 -0.005404
C -1.097425 3.762607 -0.554542
C 1.100810 3.767214 0.525557
C 0.001922 4.468163 -0.017980
H -1.821910 -0.003298 -3.711967
H -2.912986 -2.387701 0.381632
H 1.807625 0.022236 3.713056
H 2.896563 -2.388911 -0.353502
H -3.503532 -1.513695 -1.577984
H -4.040286 0.030082 -2.277902
H -2.246714 0.556657 1.114006
H -3.851145 -0.007302 0.570792
H 3.501928 -1.501522 1.598330
H 4.034814 0.046423 2.291832
H 2.266988 0.557543 -1.112983
H 3.863389 -0.015725 -0.555810
H -0.856069 -2.325933 -4.118372
H -1.920165 -3.014863 -2.757187
H -0.293507 -1.060443 1.560477
H -0.623233 -2.878510 1.357050
H 1.909520 -2.994450 2.775448
H 0.836985 -2.296932 4.125684
H 0.316400 -1.038643 -1.589962
H 0.617934 -2.859296 -1.368035
H -2.170192 1.739868 -2.324664
H -3.219178 2.115947 -0.942491
H 3.220602 2.124995 0.938104
H 2.164902 1.756611 2.317373
H 0.001827 0.564360 -0.000854
H -1.948968 4.314342 -0.972854
H 1.952220 4.322481 0.939434
H 0.002166 5.563867 -0.023140


