%chk=000002316.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002316

0 1
 O   -1.667000      0.9454000      0.7005000    
 O   -1.449100       2.557500     -0.9841000    
 O   -2.716000      -1.563100     -0.3341000    
 O   -3.456100     -0.5628000      -2.270800    
 N    5.001200      0.5878000      9.8700002E-02
 N    7.382000      0.9028000      4.5800000E-02
 N    6.492400      -1.132100      0.5586000    
 C    3.309400       2.265200     -0.3535000    
 C   0.4833000       1.407300     -0.1206000    
 C    2.654600       1.367100      -1.411800    
 C    2.640000       2.075200       1.014200    
 C    1.145900       1.591700      -1.485800    
 C    1.130900       2.298000      0.9398000    
 C    4.808800       1.987200     -0.2633000    
 C  -0.9760000       1.731600     -0.2148000    
 C    6.226600      0.1737000      0.2197000    
 C   -3.043800       1.180400      0.6842000    
 C   -3.885000      0.4500000     -0.1553000    
 C   -3.575300       2.159700       1.523400    
 C   -5.257400      0.6989000     -0.1554000    
 C   -4.947700       2.408500       1.523400    
 C   -3.350900     -0.5776000      -1.038300    
 C   -5.788800       1.678200      0.6839000    
 C   -2.145400      -2.633800      -1.094000    
 C  -0.9486000      -3.169000     -0.3639000    
 C   0.3146000      -2.628500     -0.6049000    
 C   -1.099200      -4.206600      0.5561000    
 C    1.427000      -3.125700      7.3700003E-02
 C   1.3300000E-02  -4.703700       1.234900    
 C    1.276500      -4.163200      0.9936000    
 H    3.177300       3.312200     -0.6582000    
 H   0.5912000      0.3541000      0.1677000    
 H    3.097400       1.565100      -2.395400    
 H    2.832900      0.3072000      -1.192100    
 H    3.071500       2.773300       1.741600    
 H    2.821900       1.064300       1.399500    
 H   0.7065000      0.8980000      -2.213300    
 H   0.9591000       2.602600      -1.871400    
 H   0.9300000       3.354700      0.7186000    
 H   0.6845000       2.100300       1.922100    
 H    5.273300       2.201300      -1.233900    
 H    5.256800       2.648900      0.4881000    
 H   -2.925700       2.731600       2.180500    
 H    8.293400      0.4741000      0.1660000    
 H    7.369200       1.884300     -0.2073000    
 H    7.442900      -1.471400      0.6582000    
 H    5.741300      -1.794200      0.7202000    
 H   -5.924100      0.1358000     -0.8036000    
 H   -5.361500       3.170800       2.177000    
 H   -6.857500       1.871800      0.6842000    
 H   -2.903700      -3.416300      -1.214000    
 H   -1.844000      -2.309600      -2.097800    
 H   0.4442000      -1.819500      -1.318900    
 H   -2.078400      -4.634500      0.7543000    
 H    2.410200      -2.703400     -0.1131000    
 H  -0.1038000      -5.511000       1.951900    
 H    2.142700      -4.549800       1.522600    


%chk=000002316-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002316

0 1
O -1.891392 1.324868 -0.163633
O -1.517219 2.464599 1.863789
O -2.288213 -1.367207 -0.242919
O -4.120955 -1.928019 -1.557568
N 4.667337 0.048312 -0.497714
N 7.080200 -0.018239 -0.755389
N 5.830199 -1.997910 -0.604866
C 3.277853 2.063378 -0.016175
C 0.382702 1.542762 0.550204
C 2.270340 1.731927 -1.145197
C 2.786653 1.530521 1.353178
C 0.827488 2.167376 -0.806037
C 1.341158 1.970451 1.683016
C 4.689400 1.522091 -0.356191
C -1.063935 1.863350 0.872360
C 5.806809 -0.593545 -0.620624
C -3.304476 1.413880 -0.135118
C -4.057511 0.273326 -0.532496
C -3.946113 2.639904 0.153884
C -5.467114 0.411321 -0.661641
C -5.348052 2.740295 0.047670
C -3.509260 -1.083741 -0.850629
C -6.113723 1.625954 -0.368757
C -1.744878 -2.742754 -0.547000
C -0.385787 -2.848330 0.097330
C 0.710615 -2.107922 -0.414116
C -0.184819 -3.682639 1.224538
C 1.979192 -2.172776 0.203029
C 1.087936 -3.771312 1.834107
C 2.167855 -3.010157 1.329966
H 3.362904 3.171078 0.054847
H 0.428287 0.440626 0.433062
H 2.593193 2.221033 -2.086437
H 2.302322 0.640679 -1.326732
H 3.472175 1.878674 2.151859
H 2.846196 0.425882 1.339909
H 0.133584 1.858397 -1.608165
H 0.773896 3.273098 -0.727256
H 1.290189 3.070651 1.807852
H 1.016549 1.528727 2.643137
H 5.023890 2.007811 -1.304454
H 5.397245 1.847978 0.444931
H -3.347995 3.500556 0.459675
H 7.914082 -0.544563 -0.504999
H 7.162894 0.989205 -0.854527
H 6.515575 -2.490342 -1.176113
H 4.926830 -2.449461 -0.469525
H -6.031888 -0.463808 -0.998169
H -5.838151 3.692039 0.279482
H -7.201214 1.705583 -0.464648
H -2.458587 -3.487082 -0.152615
H -1.710751 -2.846169 -1.646677
H 0.560413 -1.461990 -1.288167
H -1.026860 -4.256139 1.631048
H 2.801996 -1.545244 -0.168002
H 1.231499 -4.419184 2.706107
H 3.147237 -3.056997 1.820974


