%chk=000117756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117756

0 1
 O    2.646000      -1.378900      0.1538000    
 O   -2.148300      -1.974000      1.3500000E-02
 O    4.824600     -0.9579000     -0.4894000    
 O   -4.374500      -1.940900      0.6299000    
 N   7.7000000E-02 -0.2499000     -9.3199998E-02
 N   -1.388700       4.039900       1.656800    
 C   0.6603000      -1.044900      -1.155500    
 C  -0.3186000     -0.9006000       1.140000    
 C  -9.1100000E-02   1.141500     -0.2522000    
 C    2.175100     -0.9374000      -1.113300    
 C   -1.815000      -1.162500       1.132700    
 C  -0.6534000       1.898400      0.7756000    
 C   0.3052000       1.760500      -1.437800    
 C  -0.8196000       3.274300      0.6178000    
 C   0.1388000       3.136400      -1.595500    
 C  -0.4236000       3.893300     -0.5677000    
 C    4.001000      -1.336300      0.3326000    
 C   -3.472000      -2.290400     -0.1187000    
 C    4.349500      -1.827100       1.705100    
 C   -3.672900      -3.143600      -1.334300    
 H   0.3937000      -2.099400      -1.004300    
 H   0.2567000     -0.7974000      -2.143500    
 H   0.1904000      -1.870700       1.215900    
 H   3.9999999E-04 -0.3513000       2.032700    
 H    2.516100      8.8799998E-02  -1.283900    
 H    2.599600      -1.576800      -1.896500    
 H   -2.088300      -1.691600       2.053300    
 H   -2.392800     -0.2339000       1.085100    
 H  -0.9738000       1.467800       1.718300    
 H   0.7450000       1.231100      -2.275400    
 H   0.4463000       3.619100      -2.518700    
 H  -0.5481000       4.964700     -0.7030000    
 H   -1.508400       5.037600       1.542600    
 H   -1.676000       3.592900       2.517200    
 H    5.433900      -1.784000       1.841600    
 H    3.878200      -1.189000       2.456900    
 H    4.024200      -2.863900       1.821100    
 H   -4.734400      -3.386600      -1.435900    
 H   -3.353600      -2.598300      -2.226100    
 H   -3.110300      -4.074700      -1.230200    


%chk=000117756-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117756

0 1
O 2.596170 -1.591834 0.090941
O -2.027404 -2.135574 0.112850
O 4.834362 -1.394711 -0.526036
O -4.270648 -2.302078 0.719536
N 0.057293 0.050536 -0.114483
N -1.671182 4.336266 1.545571
C 0.685372 -0.761790 -1.165956
C -0.380973 -0.644519 1.102618
C -0.105614 1.444192 -0.266897
C 2.219350 -0.794274 -1.116428
C -1.865073 -1.038199 1.113821
C -0.810497 2.209677 0.709316
C 0.430332 2.129541 -1.404219
C -0.975709 3.613769 0.570262
C 0.250148 3.521517 -1.533502
C -0.439852 4.279735 -0.569206
C 3.967620 -1.807705 0.276684
C -3.314686 -2.677834 0.004710
C 4.226763 -2.564692 1.561445
C -3.365478 -3.725403 -1.086160
H 0.302529 -1.793534 -1.084523
H 0.377904 -0.390774 -2.162146
H 0.231006 -1.554648 1.223102
H -0.180689 -0.014089 1.990738
H 2.658101 0.213915 -1.021974
H 2.645817 -1.287372 -2.010209
H -2.178386 -1.417460 2.104904
H -2.525413 -0.201709 0.826983
H -1.254080 1.725733 1.585656
H 0.993519 1.597116 -2.174282
H 0.670449 4.027881 -2.410736
H -0.564337 5.362073 -0.688001
H -1.809341 5.336883 1.444956
H -2.064704 3.875123 2.359989
H 5.102915 -3.219393 1.433585
H 4.458418 -1.843970 2.367068
H 3.347344 -3.152793 1.864105
H -4.202252 -4.414547 -0.897861
H -3.534673 -3.231229 -2.060468
H -2.415819 -4.279525 -1.148355


