%chk=000177807.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177807

0 1
 O  -0.9649000       2.221600       2.265500    
 O   -5.173100      -2.140100     -0.7366000    
 O   -3.457300      -1.602300      -2.132200    
 N   -2.523900       1.584000      0.6547000    
 N    4.224200      4.2300001E-02 -0.5538000    
 N    3.618400      -1.170300     -0.4345000    
 C   -2.942900      0.7103000     -0.4679000    
 C   -3.785900       1.480600      -1.497800    
 C   -4.914700       2.285600     -0.8641000    
 C   -4.359600       3.204200      0.2163000    
 C   -3.575500       2.414900       1.256000    
 C   -3.661800     -0.5374000      5.0999999E-02
 C   -1.263700       1.577300       1.258000    
 C   -4.046000      -1.460600      -1.071000    
 C  -0.2098000      0.7376000      0.6523000    
 C    1.057900       1.134600      0.7756000    
 C    2.225200      0.4601000      0.2597000    
 C    3.372600       1.066900     -0.1268000    
 C    2.410400     -0.8955000      5.9300002E-02
 C    1.484200      -1.970900      0.3156000    
 C    3.850900       2.406100     -0.1850000    
 C    5.514100      0.3060000      -1.028600    
 C    5.093200       2.648300     -0.6433000    
 C    5.961400       1.570400      -1.081900    
 C   0.6060000      -2.379900     -0.6837000    
 C    1.474700      -2.593200       1.560600    
 C  -0.2898000      -3.420200     -0.4359000    
 C   0.5790000      -3.633600       1.808300    
 C  -0.3032000      -4.046900      0.8100000    
 H   -2.055500      0.3821000      -1.016500    
 H   -4.193200      0.8307000      -2.277800    
 H   -3.122400       2.186600      -2.016900    
 H   -5.667400       1.613300     -0.4368000    
 H   -5.418800       2.883000      -1.632100    
 H   -3.703600       3.952900     -0.2451000    
 H   -5.178700       3.746800      0.7010000    
 H   -3.146100       3.110100       1.985000    
 H   -4.242500       1.746200       1.812300    
 H   -3.017500      -1.095600      0.7399000    
 H   -4.564000     -0.2538000      0.6045000    
 H  -0.4977000     -0.1688000      0.1500000    
 H    1.261300       2.082900       1.270700    
 H   -5.454300      -2.754100      -1.448100    
 H    3.216300       3.224800      0.1369000    
 H    6.112100     -0.5414000      -1.340700    
 H    5.477800       3.661000     -0.6970000    
 H    6.953800       1.810300      -1.443700    
 H   0.6039000      -1.901700      -1.660200    
 H    2.155700      -2.282000       2.349000    
 H  -0.9779000      -3.740800      -1.212500    
 H   0.5681000      -4.121400       2.778600    
 H   -1.001300      -4.856100       1.003200    


%chk=000177807-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177807

0 1
O -0.890354 3.370256 0.772844
O -4.848247 -2.376337 1.555620
O -3.814691 -2.237693 -0.515495
N -2.622031 1.840902 0.448452
N 4.443552 0.041768 -0.052926
N 3.780934 -1.175907 -0.180704
C -3.169937 0.581260 -0.116276
C -4.123540 0.900417 -1.304685
C -5.198018 1.954475 -0.953894
C -4.528261 3.231506 -0.398360
C -3.614096 2.887854 0.797744
C -3.840396 -0.267452 0.997611
C -1.256743 2.172041 0.508457
C -4.140339 -1.687482 0.560927
C -0.260912 1.085412 0.286985
C 1.060238 1.421765 0.132851
C 2.234347 0.584939 -0.029759
C 3.553728 1.138415 0.033403
C 2.441977 -0.840522 -0.174478
C 1.474357 -1.952325 -0.319644
C 4.113857 2.439769 0.172811
C 5.817170 0.171454 -0.021749
C 5.503401 2.589558 0.206730
C 6.362700 1.442440 0.106964
C 0.317654 -1.834731 -1.135733
C 1.731852 -3.190593 0.328994
C -0.581759 -2.914462 -1.268964
C 0.837432 -4.272845 0.188541
C -0.327553 -4.135945 -0.602100
H -2.338258 -0.011709 -0.527893
H -4.581748 -0.040665 -1.658291
H -3.502324 1.289165 -2.135279
H -5.908770 1.551087 -0.203078
H -5.796494 2.188891 -1.854293
H -3.919710 3.710354 -1.189773
H -5.289065 3.967207 -0.074519
H -3.039172 3.767130 1.129318
H -4.232831 2.533543 1.648861
H -3.169776 -0.324547 1.877117
H -4.779172 0.185529 1.364679
H -0.574748 0.040132 0.309544
H 1.254591 2.504845 0.174836
H -5.006197 -3.313597 1.257421
H 3.448090 3.303427 0.252871
H 6.387076 -0.755005 -0.102890
H 5.944000 3.585488 0.310873
H 7.449400 1.553892 0.131757
H 0.137017 -0.905180 -1.686221
H 2.635009 -3.289224 0.939590
H -1.482505 -2.802603 -1.880819
H 1.046840 -5.220028 0.698378
H -1.029376 -4.971167 -0.702856


