%chk=000146428.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146428

0 1
 O    2.081400       3.691300      -1.374700    
 O   -1.954000       2.671100       1.701700    
 O   -2.240900      -2.829400      0.9055000    
 N  -0.6420000       1.910200     -4.3099999E-02
 N    1.183100       2.197000       1.474000    
 N   -1.465000     -0.9140000     -0.2284000    
 N   0.8071000     -0.8637000     -0.9357000    
 C    1.526300       2.473700     -0.9098000    
 C   0.5408000       2.707900      0.2676000    
 C   0.6900000       1.782700      -1.992600    
 C  -0.5005000       1.148900      -1.271400    
 C    2.602700       1.649500     -0.2668000    
 C    2.331800       1.513500       1.097200    
 C  -0.3442000     -0.2859000     -0.7875000    
 C   -1.796400       1.960000      0.7119000    
 C    3.726900       1.079100     -0.8409000    
 C   -2.911500       1.090400      0.2708000    
 C    3.198300      0.8185000       1.922300    
 C   -2.746400     -0.2494000     -0.1371000    
 C    4.594600      0.3606000     -1.7400000E-02
 C   -1.372200      -2.229900      0.2756000    
 C    4.332300      0.2316000       1.355000    
 C   0.9641000      -2.187400     -0.5209000    
 C   -4.195000       1.658500      0.3544000    
 C  -7.2600000E-02  -2.902500      7.4800000E-02
 C   -3.907400     -0.9762000     -0.4721000    
 C   -5.322300      0.9144000      1.8400000E-02
 C   -5.178400     -0.4023000     -0.3969000    
 C    2.201300      -2.814400     -0.7080000    
 C   0.1171000      -4.227800      0.4839000    
 C    2.396700      -4.134900     -0.3026000    
 C    1.354500      -4.841100      0.2929000    
 H   0.2489000       3.755900      0.3981000    
 H    1.262800       1.072600      -2.597700    
 H   0.3107000       2.545200      -2.686300    
 H   -1.400700       1.228000      -1.890600    
 H   0.7023000       2.039400       2.347400    
 H    2.677500       4.043800     -0.6919000    
 H    3.932900       1.185200      -1.900400    
 H    3.007200      0.7238000       2.986100    
 H    5.483000     -0.1003000     -0.4404000    
 H    5.021800     -0.3262000       1.983000    
 H   -4.330400       2.688200      0.6776000    
 H   -3.840200      -2.000200     -0.8338000    
 H   -6.309300       1.362700      7.9499997E-02
 H   -6.053200     -0.9857000     -0.6690000    
 H    3.023100      -2.276100      -1.173700    
 H  -0.6828000      -4.796400      0.9499000    
 H    3.360900      -4.611700     -0.4523000    
 H    1.505500      -5.869300      0.6085000    


%chk=000146428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146428

0 1
O 2.059417 3.676145 -1.567670
O -1.792131 2.648739 1.822227
O -2.397369 -2.845942 0.816030
N -0.644869 1.890890 -0.038909
N 1.224882 2.468791 1.477756
N -1.501391 -0.966373 -0.321763
N 0.768041 -0.991225 -1.159570
C 1.532669 2.461659 -0.916430
C 0.514663 2.785652 0.245682
C 0.711823 1.720006 -2.001153
C -0.519238 1.105506 -1.300908
C 2.623928 1.684664 -0.190362
C 2.388211 1.734118 1.213943
C -0.373490 -0.372677 -0.942496
C -1.745008 1.892746 0.795356
C 3.755959 1.036298 -0.705786
C -2.899547 1.025634 0.375740
C 3.284513 1.123430 2.120499
C -2.778717 -0.270400 -0.203550
C 4.665670 0.421605 0.192145
C -1.420638 -2.317661 0.217132
C 4.421136 0.469088 1.587983
C 0.920598 -2.313584 -0.711978
C -4.193893 1.573668 0.571598
C -0.128230 -2.988138 -0.014561
C -3.942072 -0.963952 -0.618145
C -5.347627 0.878189 0.165748
C -5.216643 -0.390758 -0.446098
C 2.155138 -2.980107 -0.936680
C 0.066165 -4.314289 0.453291
C 2.334874 -4.293603 -0.472765
C 1.289902 -4.964454 0.224547
H 0.164613 3.831943 0.235277
H 1.307963 0.942504 -2.499868
H 0.389595 2.471000 -2.742199
H -1.434467 1.238911 -1.909225
H 0.764806 2.561089 2.381402
H 2.811939 4.018576 -1.020184
H 3.930987 1.002669 -1.787198
H 3.109533 1.151430 3.201203
H 5.555976 -0.089166 -0.189197
H 5.126960 -0.012154 2.275122
H -4.260883 2.554246 1.053035
H -3.845891 -1.961816 -1.051713
H -6.337940 1.318255 0.321491
H -6.104447 -0.941009 -0.774422
H 2.948246 -2.436352 -1.458200
H -0.755419 -4.802597 0.987036
H 3.288497 -4.805040 -0.643285
H 1.443407 -5.987255 0.584175


