%chk=000126919.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126919

0 1
 O   -2.908300      0.7801000     -0.9731000    
 O   -5.010400      -1.812000       1.487800    
 O  -0.1394000       1.487300       2.121700    
 O    1.161100       3.409100      -1.007000    
 O    2.397100       2.703400      0.7597000    
 O    2.379100     -0.1379000      -1.995700    
 N   -4.155500      -1.162200     -0.6125000    
 N    1.538400      0.1263000      0.1495000    
 N    3.851900      -2.252700      -1.385000    
 C   -4.258300      0.2584000     -0.9641000    
 C   -1.977500     -0.2900000     -0.6516000    
 C   -2.781100      -1.606700     -0.7315000    
 C   -5.138600      0.4350000      0.2844000    
 C   -1.401600     -2.8200001E-02  0.7351000    
 C   -4.838900      -1.050000      0.5634000    
 C  -0.5647000       1.257500      0.7784000    
 C   0.6651000       1.239800     -0.1404000    
 C    1.499200       2.506800     -4.8999999E-02
 C    3.154000      -1.637800     -0.2534000    
 C    2.332700     -0.4775000     -0.8144000    
 C    4.147700      -1.204700      0.8504000    
 C    5.155600     -0.1417000      0.3992000    
 C    4.892400      -2.402400       1.448100    
 H   -4.764600      0.4222000      -1.920300    
 H   -1.194300     -0.3142000      -1.414000    
 H   -2.517400      -2.325500      4.9199998E-02
 H   -2.675400      -2.065500      -1.719300    
 H   -4.747300       1.116400       1.043800    
 H   -6.192400      0.6478000      8.9000002E-02
 H   -2.209000      7.1300000E-02   1.472000    
 H  -0.7993000     -0.8816000       1.069100    
 H   -1.200400       2.110400      0.5105000    
 H   0.3539000       1.147800      -1.187100    
 H    1.583900     -0.2004000       1.109900    
 H   0.2411000       2.380600       2.167500    
 H    2.451400      -2.372600      0.1587000    
 H    3.572000     -0.7588000       1.671600    
 H    4.651500      0.7443000      1.4000000E-03
 H    5.834600     -0.5238000     -0.3698000    
 H    5.769600      0.1854000       1.245700    
 H    5.558900      -2.872900      0.7179000    
 H    5.502800      -2.089800       2.302400    
 H    4.186500      -3.160000       1.804600    
 H    3.174600      -2.561400      -2.081400    
 H    4.448100      -1.568100      -1.847500    
 H    1.711800       4.219400     -0.9563000    


%chk=000126919-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126919

0 1
O -2.622425 0.788277 -1.048767
O -5.364228 -1.537165 0.999458
O -0.440044 0.932589 2.636253
O 2.096760 3.063889 -0.127318
O 0.809493 3.326299 1.780445
O 1.665950 -0.516233 -1.518926
N -4.073551 -1.068811 -1.020961
N 1.562325 0.225915 0.679837
N 3.350651 -2.645266 -0.900134
C -3.995234 0.373494 -1.393089
C -1.814841 -0.427035 -0.655013
C -2.725791 -1.667728 -0.970500
C -5.108351 0.689120 -0.338026
C -1.426371 -0.321478 0.829771
C -4.955913 -0.805310 0.082898
C -0.750473 1.008086 1.196547
C 0.561944 1.266739 0.407126
C 1.136049 2.639991 0.778462
C 3.137001 -1.625535 0.134056
C 2.054354 -0.605899 -0.311446
C 4.467440 -0.862572 0.497068
C 5.056295 -0.140716 -0.735141
C 5.480697 -1.857196 1.101681
H -4.186577 0.624195 -2.447806
H -0.918667 -0.421882 -1.300384
H -2.683727 -2.435186 -0.180390
H -2.467004 -2.125128 -1.939614
H -4.791162 1.400827 0.439397
H -6.096529 0.971318 -0.734592
H -2.320116 -0.429408 1.472517
H -0.741129 -1.154390 1.081371
H -1.445331 1.845453 0.987166
H 0.385967 1.255900 -0.683605
H 1.768957 0.042106 1.665526
H -0.208179 1.857147 2.925413
H 2.791486 -2.122042 1.064775
H 4.212913 -0.099583 1.263999
H 4.352566 0.599104 -1.158815
H 5.303183 -0.877132 -1.521242
H 5.986955 0.389568 -0.462182
H 5.674855 -2.666850 0.376462
H 6.435922 -1.351605 1.334595
H 5.099361 -2.312879 2.036127
H 2.874853 -3.533309 -0.722759
H 3.140552 -2.282457 -1.838186
H 2.469714 3.943680 0.155546


