%chk=000099771.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099771

0 1
 O    1.646200       2.481600      -1.153000    
 O    3.880700      -2.060100      -1.184400    
 O   -1.664100       1.857200       1.029600    
 N    3.164500       1.038900     -9.4099998E-02
 N    1.888100     -0.8555000      -1.362900    
 N   -2.352800      -1.130000     -0.7355000    
 C   0.8718000     -0.1996000      0.8157000    
 C    1.058500      0.1469000     -0.6823000    
 C  -0.4006000      -1.074500      0.8615000    
 C   -1.299400     -0.2947000     -0.1570000    
 C    3.336000     -0.3153000      0.4455000    
 C  -0.3535000      0.2493000      -1.260200    
 C    2.203000     -0.6806000       1.427100    
 C    1.958700       1.385500     -0.7113000    
 C    4.742700     -0.3150000       1.035100    
 C    3.128500      -1.176100     -0.7982000    
 C  -0.1604000      -2.534500      0.4117000    
 C  -0.9712000      -1.132200       2.288400    
 C    4.349400       1.853600      5.9000000E-02
 C   -2.098300      0.8766000      0.4545000    
 C    5.449100      0.8213000      0.2810000    
 C   -3.588300     -0.5436000     -0.5134000    
 C   -3.513200      0.6414000      0.2086000    
 C   -4.827500      -1.032200     -0.8852000    
 C   -4.615300       1.389900      0.5702000    
 C   -5.969300     -0.3004000     -0.5357000    
 C   -5.863100      0.9021000      0.1854000    
 H   0.6379000      0.7388000       1.344000    
 H  -0.4452000     -0.3402000      -2.180800    
 H  -0.6061000       1.282400      -1.525000    
 H    2.348200     -0.1750000       2.389900    
 H    2.208200      -1.754600       1.633600    
 H    1.561600      -1.340000      -2.193400    
 H    5.268500      -1.267400      0.9209000    
 H    4.716900     -6.7000002E-02   2.103100    
 H   0.5890000      -3.034500       1.032200    
 H   -1.079500      -3.125900      0.5030000    
 H   0.1612000      -2.610600     -0.6299000    
 H   -1.086600     -0.1381000       2.731700    
 H   -1.951600      -1.620900       2.301700    
 H  -0.3069000      -1.698600       2.951200    
 H    4.207500       2.487000      0.9406000    
 H    4.507000       2.485400     -0.8190000    
 H   -2.198300      -1.919600      -1.344200    
 H    6.302100       1.228100      0.8311000    
 H    5.811500      0.4484000     -0.6849000    
 H   -4.923000      -1.962200      -1.436300    
 H   -4.523900       2.313900       1.128500    
 H   -6.951300     -0.6672000     -0.8228000    
 H   -6.762900       1.452700      0.4458000    


%chk=000099771-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099771

0 1
O 1.709866 2.492566 -1.267433
O 4.002128 -2.077482 -1.189225
O -1.536056 1.837911 1.059595
N 3.152302 1.105149 -0.016205
N 1.927662 -0.967803 -1.307471
N -2.405609 -1.125930 -0.770592
C 0.871710 -0.216916 0.836579
C 1.108350 0.112926 -0.681266
C -0.408921 -1.108329 0.866770
C -1.309328 -0.322501 -0.201604
C 3.357902 -0.303407 0.479835
C -0.297888 0.229156 -1.284561
C 2.207837 -0.680124 1.475161
C 1.995931 1.393727 -0.713045
C 4.795556 -0.291545 1.026329
C 3.170381 -1.227793 -0.760682
C -0.181742 -2.569145 0.394357
C -1.038074 -1.153311 2.280140
C 4.372367 1.933548 0.083006
C -2.091223 0.873904 0.456997
C 5.490938 0.875090 0.265430
C -3.654571 -0.574712 -0.524618
C -3.519226 0.640750 0.218447
C -4.937125 -1.046067 -0.902708
C -4.650740 1.400719 0.589645
C -6.056559 -0.276038 -0.521422
C -5.928493 0.937010 0.217484
H 0.572091 0.744500 1.296305
H -0.400023 -0.343000 -2.224713
H -0.501271 1.288308 -1.519968
H 2.380503 -0.173980 2.440894
H 2.239510 -1.770008 1.657088
H 1.655728 -1.384655 -2.200652
H 5.289296 -1.259163 0.840470
H 4.782815 -0.097369 2.114687
H 0.584269 -3.062433 1.019010
H -1.114088 -3.151832 0.508145
H 0.160513 -2.641210 -0.652076
H -1.154124 -0.144750 2.711831
H -2.032304 -1.637957 2.252441
H -0.398667 -1.746072 2.961068
H 4.307111 2.615267 0.953404
H 4.481719 2.550502 -0.825367
H -2.249396 -1.992762 -1.278742
H 6.360381 1.275481 0.812787
H 5.836460 0.518328 -0.721133
H -5.062905 -1.972972 -1.472417
H -4.517751 2.329726 1.154112
H -7.057474 -0.622675 -0.804735
H -6.825268 1.502277 0.489716


