%chk=000117260.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117260

0 1
 O  -0.4578000       1.012400     -0.1055000    
 O    2.567200     -0.7427000     -0.3036000    
 O  -0.8529000       2.499600      -1.795300    
 O    3.902500     -0.7941000       1.571000    
 N   -1.056800       3.186400      0.4172000    
 N    4.734500     -0.1374000     -0.4695000    
 C   0.1886000      -1.344900     -0.4096000    
 C  -0.9467000      -1.861500      0.5224000    
 C  -0.1763000      6.6000000E-03  -1.069900    
 C    1.461500      -1.198200      0.4656000    
 C   -2.315000      -2.067700     -0.1397000    
 C   0.4745000      -2.362600      -1.532900    
 C   -3.358700      -2.516400      0.8862000    
 C   -4.711400      -2.759100      0.2356000    
 C  -0.7938000       2.253800     -0.5918000    
 C    3.745000     -0.5785000      0.3739000    
 C   -1.432800       4.564400      0.1172000    
 C  -0.9715000       2.840000       1.828700    
 H  -0.6336000      -2.813800      0.9718000    
 H   -1.068900      -1.159200       1.358100    
 H   0.6580000      0.3481000      -1.696400    
 H   -1.044500     -0.1130000      -1.728900    
 H    1.717800      -2.167900      0.9119000    
 H    1.277300     -0.4862000       1.280200    
 H   -2.240900      -2.822500     -0.9298000    
 H   -2.659200      -1.137500     -0.6035000    
 H    1.321600      -2.050200      -2.153700    
 H   0.7115000      -3.349000      -1.119100    
 H  -0.3844000      -2.477700      -2.202200    
 H   -3.026600      -3.439000       1.376400    
 H   -3.465900      -1.754000       1.666600    
 H   -5.087600      -1.847100     -0.2388000    
 H   -4.645200      -3.541400     -0.5273000    
 H   -5.441300      -3.077600      0.9863000    
 H  -0.6926000       5.236400      0.5604000    
 H   -1.472300       4.735300     -0.9615000    
 H   -2.418000       4.763000      0.5486000    
 H   -1.948400       3.015300       2.289400    
 H  -0.6868000       1.800500       2.001800    
 H  -0.2280000       3.488700       2.301700    
 H    4.554800      2.6699999E-02  -1.454300    
 H    5.675700      3.7900001E-02 -0.1339000    


%chk=000117260-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117260

0 1
O -0.539316 0.960420 -0.088059
O 2.528315 -0.692513 -0.370413
O -0.525510 2.585044 -1.786296
O 3.882376 -0.521900 1.553291
N -0.964797 3.165206 0.449553
N 4.664213 0.053626 -0.586458
C 0.164760 -1.367974 -0.407268
C -0.977990 -1.858758 0.538995
C -0.202941 -0.051137 -1.122997
C 1.405418 -1.150407 0.487725
C -2.355126 -2.098023 -0.120033
C 0.480350 -2.422969 -1.500519
C -3.401255 -2.621348 0.892071
C -4.786740 -2.859998 0.254226
C -0.667242 2.280237 -0.569293
C 3.720095 -0.393209 0.314302
C -1.120173 4.589957 0.122941
C -1.105488 2.781156 1.861104
H -0.644290 -2.803520 1.017858
H -1.105887 -1.117266 1.352870
H 0.642717 0.322189 -1.724911
H -1.076649 -0.181498 -1.786240
H 1.702723 -2.090247 0.989384
H 1.213711 -0.381270 1.256352
H -2.264519 -2.827620 -0.949523
H -2.731473 -1.154655 -0.563151
H 1.364655 -2.125743 -2.090240
H 0.693956 -3.403887 -1.036553
H -0.369485 -2.554730 -2.193859
H -3.032482 -3.565108 1.343684
H -3.496342 -1.894683 1.724830
H -5.187594 -1.926277 -0.183560
H -4.726848 -3.610783 -0.556278
H -5.517805 -3.225126 0.998848
H -0.363158 5.197681 0.656117
H -0.988666 4.720653 -0.961448
H -2.126960 4.947594 0.413875
H -2.093660 3.099783 2.246919
H -1.016532 1.691859 1.961379
H -0.320621 3.263528 2.476740
H 4.435575 0.146500 -1.572947
H 5.583284 0.311114 -0.239218


