%chk=000146423.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146423

0 1
 O   -3.370600       2.433500      -1.357900    
 O    3.164100      -2.236900     -0.6550000    
 O   -1.706400     -0.2467000      -1.664600    
 O   0.7218000       2.074300       1.289300    
 O   -5.237200      -3.211000     -0.6222000    
 O   -2.587300       3.562300       1.962700    
 O   -5.156900      -1.856700       1.209600    
 O   -2.817500       4.681000      1.3000000E-03
 O    5.581400      -2.217600      0.6082000    
 N  -0.7121000       1.967300     -0.5364000    
 N   -2.864600     -0.8307000      0.2620000    
 N    1.145800       4.190500      -1.128300    
 C   -1.857900       1.368400      0.1333000    
 C   -3.179400      -2.195500     -0.1330000    
 C    1.535200       2.798300     -0.8795000    
 C   -2.295800      -3.223600      0.5820000    
 C    2.973000       2.756400     -0.3317000    
 C   -3.079800       2.267300      2.0300001E-02
 C   -2.110600      2.2600001E-02 -0.5348000    
 C   0.4944000       2.244400      9.3900003E-02
 C    3.611800       1.400300     -0.1086000    
 C  -0.8274000      -3.029100      0.2919000    
 C   -4.613800      -2.379000      0.2476000    
 C    3.049900      0.1916000     -0.5383000    
 C   1.2000000E-02  -2.464100       1.261700    
 C  -0.2965000      -3.356000     -0.9631000    
 C    4.853400       1.360800      0.5509000    
 C   -2.812900       3.627800      0.6253000    
 C    3.693400      -1.024600     -0.2657000    
 C    1.856200      -2.486700     -0.2973000    
 C    1.351100      -2.202400      0.9745000    
 C    1.042000      -3.090600      -1.255900    
 C    4.931700      -1.046100      0.3734000    
 C    5.509800      0.1505000      0.7847000    
 H   -1.600900       1.194800       1.184800    
 H   -3.079300      -2.272900      -1.221900    
 H    1.478800       2.250700      -1.827200    
 H   -2.584200      -4.239800      0.2822000    
 H   -2.466500      -3.180700       1.666400    
 H    3.005600       3.298700      0.6240000    
 H    3.625000       3.300500      -1.029500    
 H   -3.960200       1.826600      0.5002000    
 H  -0.7918000       2.135700      -1.535400    
 H   -3.167900     -0.5127000       1.178600    
 H    2.108500      0.1804000      -1.079000    
 H    1.165000       4.720800     -0.2581000    
 H   0.1879000       4.228900      -1.474100    
 H  -0.3769000      -2.207200       2.243900    
 H  -0.9297000      -3.799400      -1.727500    
 H    5.321400       2.284300      0.8853000    
 H    1.979300      -1.768100       1.747100    
 H    1.435300      -3.336000      -2.238500    
 H   -4.204500       2.929600      -1.423900    
 H    6.471200      0.1592000       1.291300    
 H   -6.180300      -3.345600     -0.3884000    
 H   -2.424400       4.448700       2.349900    
 H    6.421200      -2.030400       1.061600    


%chk=000146423-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146423

0 1
O -3.382298 2.432950 -1.248821
O 3.041354 -2.115799 -0.664660
O -1.621685 -0.482798 -1.588752
O 0.330083 2.870556 1.251860
O -5.333235 -3.579089 -0.459662
O -2.580473 3.463576 2.141454
O -5.432830 -1.824845 1.064965
O -2.205716 4.546572 0.105465
O 5.519758 -2.204102 0.480343
N -0.566689 1.731173 -0.564204
N -2.948810 -0.921994 0.274771
N 1.274329 4.413098 -1.262223
C -1.718985 1.220693 0.173238
C -3.338017 -2.263782 -0.163625
C 1.546616 2.998409 -0.896177
C -2.449090 -3.400757 0.488769
C 2.925111 2.930872 -0.210931
C -2.946706 2.211085 0.112995
C -2.096243 -0.136050 -0.465271
C 0.416070 2.497881 0.036717
C 3.568819 1.559316 -0.030047
C -0.972455 -3.151353 0.252546
C -4.795603 -2.487731 0.214955
C 2.950940 0.339767 -0.394144
C -0.220450 -2.372999 1.168403
C -0.332310 -3.607111 -0.927964
C 4.878337 1.498456 0.514767
C -2.541625 3.534353 0.763148
C 3.610207 -0.897847 -0.215879
C 1.707580 -2.429772 -0.313555
C 1.113260 -2.005358 0.897043
C 1.001416 -3.257392 -1.214453
C 4.917519 -0.946361 0.326705
C 5.545006 0.269994 0.688561
H -1.441881 1.092306 1.237292
H -3.213966 -2.313157 -1.258980
H 1.559086 2.407200 -1.832459
H -2.777622 -4.359154 0.048051
H -2.672274 -3.432314 1.572477
H 2.822513 3.412651 0.783687
H 3.597849 3.572241 -0.811278
H -3.797869 1.772539 0.661671
H -0.443725 1.313661 -1.496427
H -3.365982 -0.578224 1.144564
H 1.945174 0.320832 -0.825913
H 1.264000 5.021053 -0.431890
H 0.404975 4.532605 -1.797788
H -0.682543 -2.044895 2.107622
H -0.890305 -4.219828 -1.646202
H 5.384515 2.427171 0.803126
H 1.680911 -1.396023 1.606949
H 1.499005 -3.590649 -2.129669
H -2.888766 3.223098 -1.599835
H 6.558640 0.252344 1.110363
H -6.272210 -3.732072 -0.165708
H -2.131611 4.253981 2.545021
H 6.431803 -2.102871 0.851092


