%chk=000176567.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176567

0 1
 O   -2.635700       2.294300     -0.3981000    
 O   -3.020700      -3.424600     -9.8499998E-02
 O   -4.056800      0.9448000      0.7532000    
 O   -4.412700      -1.640200      0.1123000    
 N   5.1000002E-03 -0.8852000     -0.1534000    
 N  -0.8685000      -1.906500     -0.1549000    
 N    4.265000      -1.829200       1.931700    
 C  -0.5784000      0.3449000     -3.6200002E-02
 C   -1.931400      0.1056000      4.4399999E-02
 C   0.1518000       1.588800     -9.6000005E-03
 C    1.371200      -1.150900     -0.2645000    
 C   -2.049800      -1.295000     -3.4000002E-02
 C    2.124500      -1.354800      0.8836000    
 C    1.957000      -1.205800      -1.522000    
 C   0.5894000       2.114000       1.206300    
 C   0.4197000       2.266700      -1.199000    
 C    3.489700      -1.618800      0.7722000    
 C   -2.959500       1.095800      0.1796000    
 C    3.322000      -1.469800      -1.633500    
 C    4.088300      -1.676500     -0.4865000    
 C    1.294500       3.317200       1.233000    
 C    1.125000       3.469900      -1.172200    
 C   -3.252100      -2.079900      2.7000001E-03
 C    1.562400       3.995000      4.3800000E-02
 H    1.657400      -1.310000       1.865200    
 H    1.370700      -1.046300      -2.423300    
 H   0.3887000       1.598000       2.142200    
 H   8.5900001E-02   1.870600      -2.155200    
 H    3.788100      -1.514200      -2.613500    
 H    5.151000      -1.881600     -0.5868000    
 H    1.635300       3.726100       2.179700    
 H    1.333800       3.997700      -2.098100    
 H    2.111600       4.931700      6.4499997E-02
 H    5.255400      -2.017700       1.851000    
 H    3.832600      -1.784300       2.844800    
 H   -3.353400       2.954400     -0.2905000    
 H   -3.855500      -3.939200     -7.1599998E-02


%chk=000176567-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176567

0 1
O -3.074976 1.970155 -1.118475
O -2.956505 -3.277733 1.031995
O -4.013844 1.005115 0.771965
O -4.256279 -1.887790 -0.305058
N 0.144087 -0.734544 0.028997
N -0.707254 -1.812000 0.251703
N 3.969655 -3.260529 1.710872
C -0.547367 0.469106 -0.179946
C -1.918224 0.131813 -0.096811
C 0.123621 1.787612 -0.264985
C 1.563841 -0.999292 -0.012720
C -1.959278 -1.275968 0.183579
C 2.071407 -1.973362 0.869894
C 2.394123 -0.331672 -0.943136
C 1.044362 2.176562 0.746833
C -0.147315 2.680256 -1.334630
C 3.456606 -2.294713 0.846799
C -3.089485 1.033649 -0.070151
C 3.769676 -0.650421 -0.950739
C 4.306540 -1.611917 -0.073544
C 1.681797 3.432579 0.686853
C 0.498979 3.934318 -1.394461
C -3.164722 -2.131321 0.258717
C 1.414289 4.315152 -0.386418
H 1.384318 -2.487383 1.548912
H 1.983788 0.398716 -1.643263
H 1.251698 1.498406 1.581706
H -0.864404 2.388521 -2.106096
H 4.431003 -0.146089 -1.663564
H 5.377389 -1.846110 -0.101616
H 2.384133 3.722589 1.475689
H 0.285793 4.613011 -2.227499
H 1.912705 5.289763 -0.434154
H 4.954807 -3.505927 1.690722
H 3.360766 -3.767444 2.346467
H -3.875265 2.556086 -1.023254
H -3.788867 -3.824193 1.007615


