%chk=000099718.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099718

0 1
 O   -1.842300      0.3729000      0.6310000    
 O   -1.130700     -0.6472000      -1.299600    
 O   0.8817000      -2.533100      0.8903000    
 O    2.715900      -2.646400     -0.4356000    
 O    3.262200       2.532100      0.8853000    
 O    2.014300       2.264400     -0.9922000    
 N   0.3491000     -5.3900000E-02  0.3860000    
 C   -3.189900      0.3336000      0.1481000    
 C    1.567500     -0.5203000     -0.2313000    
 C   -3.579200      -1.125000     -8.8699996E-02
 C   -4.080700      0.9605000       1.218500    
 C   -3.264900       1.135300      -1.150400    
 C    2.772000      0.3003000      0.2383000    
 C  -0.8958000     -0.1568000     -0.2001000    
 C    1.797700      -1.996100      4.9300000E-02
 C    2.623000       1.779700     -4.8700001E-02
 H    1.442200     -0.4243000      -1.317000    
 H   -3.256500      -1.758000      0.7460000    
 H   -4.667900      -1.219800     -0.1799000    
 H   -3.169900      -1.562700      -1.002600    
 H   -3.772000       1.991700       1.425400    
 H   -3.992300      0.4152000       2.165200    
 H   -5.134000      0.9677000      0.9201000    
 H   -2.850000      0.6268000      -2.024100    
 H   -4.308800       1.355000      -1.404400    
 H   -2.735500       2.090300      -1.052200    
 H    3.692700     -4.3699998E-02 -0.2462000    
 H    2.898400      0.1678000       1.320700    
 H   0.3965000      0.3252000       1.327200    
 H    1.048700      -3.485600       1.054800    
 H    3.171000       3.492100      0.7058000    


%chk=000099718-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099718

0 1
O -1.890693 0.239087 0.659368
O -0.910592 -0.472039 -1.386632
O 0.907947 -2.746038 0.833941
O 3.105562 -2.514229 0.127220
O 3.283289 2.716144 0.420552
O 2.196475 1.916314 -1.470695
N 0.337944 -0.114594 0.564450
C -3.309786 0.322621 0.106746
C 1.596585 -0.557553 -0.013721
C -3.754525 -1.074058 -0.371004
C -4.103132 0.777339 1.343820
C -3.355690 1.376797 -1.017193
C 2.775774 0.366821 0.367338
C -0.839068 -0.150210 -0.172560
C 1.974697 -2.014461 0.317990
C 2.689790 1.702899 -0.344190
H 1.458988 -0.521588 -1.114574
H -3.642150 -1.813086 0.442078
H -4.820361 -1.039627 -0.662210
H -3.160155 -1.401186 -1.238329
H -3.731733 1.750680 1.708274
H -4.008632 0.039369 2.159112
H -5.172072 0.882377 1.085950
H -2.754267 1.057124 -1.882510
H -4.401939 1.519098 -1.344450
H -2.973345 2.346643 -0.652523
H 3.721004 -0.124557 0.066503
H 2.833582 0.532348 1.456917
H 0.260682 0.053729 1.568159
H 1.194758 -3.690195 0.969837
H 3.253560 3.571730 -0.088666


