%chk=000038595.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038595

0 1
 O   -2.121500      -1.005000      0.7025000    
 O  -0.4163000     -0.8255000      -2.641000    
 O   -2.235500       3.810300       1.012200    
 O   0.7506000       1.774500      -1.947500    
 O   -3.260100       1.231100       1.890500    
 O    7.612500      -1.086000      0.7387000    
 N   -4.621100      -3.541700     -0.2311000    
 C  -9.1700003E-02 -0.8363000      -1.244300    
 C  -0.6922000      0.3837000     -0.6179000    
 C    1.443300     -0.9504000      -1.112200    
 C   -1.696100      0.2433000      0.3437000    
 C  -0.2349000       1.650600      -1.005900    
 C    1.970500     -0.9349000      0.3287000    
 C  -0.8070000       2.786800     -0.4073000    
 C   -2.279000       1.359200      0.9518000    
 C   -1.803800       2.604900      0.5458000    
 C    3.474100     -0.9756000      0.4382000    
 C  -0.6310000       4.191300     -0.5185000    
 C   -3.203000      -1.555400     -4.3000001E-02
 C   -3.507600      -2.945600      0.4918000    
 C   -1.519600       4.764200      0.3615000    
 C    4.203500      0.2131000      0.4632000    
 C    4.135600      -2.201400      0.5144000    
 C   0.4229000       2.499100      -3.128000    
 C    5.594100      0.1761000      0.5643000    
 C    5.526100      -2.238500      0.6155000    
 C    6.255400      -1.049700      0.6405000    
 C   -2.844700       1.132900       3.250700    
 C   -5.247600      -4.600700      0.5639000    
 C   -4.175900      -4.074500      -1.521100    
 H  -0.5165000      -1.758800     -0.8372000    
 H    1.750000      -1.894700      -1.585400    
 H    1.959700     -0.1920000      -1.710200    
 H    1.614900     -3.9700001E-02  0.8537000    
 H    1.544100      -1.782600      0.8810000    
 H   5.9999999E-02   4.729700      -1.150500    
 H   -4.084000     -0.9100000      6.5899998E-02
 H   -2.931000      -1.584500      -1.103200    
 H  -5.7000000E-02  -1.640000      -3.032200    
 H   -3.756900      -2.828100       1.555600    
 H   -2.608900      -3.576700      0.4745000    
 H   -1.750800       5.784600      0.6300000    
 H    3.699400       1.174000      0.4018000    
 H    3.578100      -3.134100      0.4939000    
 H  -0.6487000       2.463900      -3.353400    
 H   0.7589000       3.535000      -3.036500    
 H   0.9610000       2.042200      -3.963900    
 H    6.150900       1.109300      0.5820000    
 H    6.035800      -3.196300      0.6738000    
 H   -3.736700       1.034800       3.875400    
 H   -2.303100       2.034900       3.552300    
 H   -2.215300      0.2496000       3.397900    
 H   -6.101400      -5.030700      2.8400000E-02
 H   -4.545500      -5.408200      0.8010000    
 H   -5.641300      -4.196500       1.503300    
 H   -3.404100      -4.844600      -1.407300    
 H   -3.785500      -3.286700      -2.172400    
 H   -5.020800      -4.519300      -2.059900    
 H    7.952600     -0.1748000      0.7420000    


%chk=000038595-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038595

0 1
O -2.310962 -0.911774 0.997914
O -0.695540 -1.187762 -2.159019
O -2.165339 4.014322 1.237708
O 0.876614 1.803257 -1.647367
O -3.445764 1.482191 2.068005
O 7.863325 -0.891055 0.135413
N -4.607832 -3.430295 -0.572837
C -0.109829 -0.936720 -0.798223
C -0.674180 0.389688 -0.308881
C 1.429938 -1.043568 -0.849179
C -1.764644 0.343536 0.627086
C -0.182900 1.656682 -0.717634
C 2.101453 -0.806488 0.530757
C -0.734263 2.834316 -0.153394
C -2.335344 1.505771 1.213557
C -1.779860 2.732064 0.803177
C 3.620560 -0.817546 0.438823
C -0.462743 4.253609 -0.312660
C -3.372087 -1.378704 0.048074
C -3.720311 -2.819613 0.442909
C -1.330678 4.917753 0.526616
C 4.303305 0.252611 -0.195268
C 4.393705 -1.888571 0.956040
C 0.434884 1.767170 -3.065478
C 5.709619 0.257571 -0.310708
C 5.800554 -1.902605 0.847776
C 6.457204 -0.825784 0.212378
C -3.251790 0.769787 3.353475
C -5.501629 -4.468082 -0.023730
C -3.882695 -3.899931 -1.770989
H -0.492667 -1.720436 -0.114220
H 1.698048 -2.061696 -1.204330
H 1.828419 -0.317840 -1.575567
H 1.756365 0.170976 0.918879
H 1.755480 -1.575991 1.248301
H 0.290263 4.701204 -0.956664
H -4.252562 -0.716866 0.137871
H -2.968233 -1.320826 -0.979523
H -0.278769 -2.016451 -2.513582
H -4.244711 -2.809588 1.415508
H -2.772183 -3.395543 0.589489
H -1.501836 5.966689 0.752488
H 3.724132 1.093053 -0.598147
H 3.888932 -2.724978 1.455061
H -0.064670 0.805091 -3.279571
H -0.252259 2.610427 -3.271685
H 1.353491 1.876769 -3.662909
H 6.219751 1.098776 -0.799282
H 6.398678 -2.726484 1.248469
H -4.227216 0.824589 3.859953
H -2.483444 1.286264 3.959468
H -2.961487 -0.279681 3.175233
H -6.205282 -4.800783 -0.808279
H -4.959454 -5.372399 0.354350
H -6.094631 -4.049872 0.808527
H -3.211499 -4.771936 -1.558226
H -3.264380 -3.087448 -2.190353
H -4.607718 -4.207046 -2.545846
H 8.224573 -0.090204 -0.319251


