%chk=000085362.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085362

0 1
 O    1.028900       2.330700       1.736000    
 O   0.7678000       3.846100      7.9000004E-02
 O    3.071100     -0.4794000      -1.440400    
 N    1.580700      0.3381000      0.1386000    
 N   -3.110000       1.142700      0.3989000    
 N    2.905800      -2.970500     -0.2686000    
 C   2.1900000E-02   1.369600      -1.464400    
 C    1.243300       1.560200     -0.5538000    
 C   -1.223900      0.9911000     -0.7145000    
 C   -1.642400     -0.3217000     -0.4251000    
 C   -2.840900     -0.2025000      0.2817000    
 C   -2.125700       1.875700     -0.2078000    
 C   -1.134100      -1.609800     -0.6858000    
 C   0.9878000       2.691900      0.4310000    
 C    2.478200     -0.5915000     -0.3693000    
 C    2.640400      -1.792800      0.5536000    
 C   -3.559500      -1.311300      0.7425000    
 C   -1.842200      -2.728200     -0.2308000    
 C   -3.036000      -2.578900      0.4721000    
 C    3.788900      -1.559600       1.527200    
 H   0.2396000      0.6015000      -2.217500    
 H  -0.1682000       2.296100      -2.022600    
 H    2.109200       1.855600      -1.158300    
 H   -2.171600       2.955800     -0.2166000    
 H    1.133000      0.1580000       1.032800    
 H   -3.917800       1.531700      0.8652000    
 H  -0.2102000      -1.747500      -1.239300    
 H    1.711100      -1.961700       1.108600    
 H   -4.489100      -1.196100       1.289800    
 H   -1.455500      -3.724000     -0.4304000    
 H   -3.569800      -3.461200      0.8159000    
 H    3.591100     -0.6831000       2.154000    
 H    4.733000      -1.375500       1.001300    
 H    3.928000      -2.421200       2.189100    
 H    3.011600      -3.787700      0.3319000    
 H    3.798800      -2.863200     -0.7493000    
 H   0.8603000       3.091000       2.332400    


%chk=000085362-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085362

0 1
O 0.710858 2.311143 1.957250
O 0.555436 3.900732 0.271603
O 3.061971 -0.315407 -1.291391
N 1.665397 0.407254 0.416392
N -3.325094 1.159624 -0.051670
N 2.505013 -2.911146 -0.268642
C 0.166365 1.372570 -1.383904
C 1.288821 1.625185 -0.306380
C -1.173372 0.984997 -0.812255
C -1.620108 -0.332278 -0.374841
C -2.975232 -0.188517 0.097019
C -2.241823 1.859424 -0.600074
C -1.020681 -1.622646 -0.345717
C 0.838251 2.737851 0.627550
C 2.520423 -0.506642 -0.154255
C 2.798857 -1.788489 0.651572
C -3.730498 -1.275459 0.590927
C -1.770981 -2.709295 0.144035
C -3.109350 -2.540453 0.609274
C 4.256703 -1.755846 1.191607
H 0.562411 0.588503 -2.054351
H 0.076662 2.301776 -1.974816
H 2.180564 1.976788 -0.860397
H -2.303858 2.926323 -0.809152
H 1.201437 0.210899 1.305060
H -4.231092 1.562013 0.176742
H 0.004521 -1.794035 -0.693659
H 2.096815 -1.849785 1.506245
H -4.760099 -1.147184 0.944224
H -1.315946 -3.705639 0.165973
H -3.663962 -3.408408 0.983611
H 4.415592 -0.915943 1.894458
H 4.963883 -1.644684 0.350356
H 4.484565 -2.697540 1.724831
H 2.707335 -3.834008 0.130493
H 2.952281 -2.771775 -1.183990
H 0.361536 3.058494 2.513375


