%chk=000064581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064581

0 1
 O   -1.670200       1.984400      0.6462000    
 O   0.3851000      -1.535700      0.4904000    
 O    5.373500      -2.733100      0.1781000    
 O    6.548200     -0.6834000     -0.2898000    
 N   -1.861300     -0.1961000     -0.1552000    
 N    2.384100       1.934300     -0.3031000    
 C   -3.304000     -0.2940000     -0.1175000    
 C   -5.292500      -1.792400     -0.5759000    
 C   -5.350100     -0.1908000       1.369700    
 C   -5.466600      0.6885000     -0.9903000    
 C   -3.758200      -1.685400     -0.6119000    
 C   -3.815600     -9.0400003E-02   1.325900    
 C   -3.931600      0.7861000      -1.025100    
 C   -5.780400      -1.579200      0.8670000    
 C   -5.896100     -0.7048000      -1.480600    
 C   -5.953300      0.8887000      0.4550000    
 C   -1.179900      0.9396000      0.2323000    
 C   0.2818000      0.7938000      0.1062000    
 C    1.010300       1.885200     -0.1531000    
 C   0.9926000     -0.4992000      0.2516000    
 C    2.471700     -0.4845000      9.6799999E-02
 C    3.142000      0.7440000     -0.1801000    
 C    3.083200       3.185400     -0.5866000    
 C    3.166900      -1.696500      0.2303000    
 C    4.543600      0.7107000     -0.3187000    
 C    4.535300      -1.665400      8.4100001E-02
 C    5.203600     -0.4969000     -0.1825000    
 C    3.489300       3.890400      0.6965000    
 C    6.648500      -2.103300     -5.9700001E-02
 H   -5.602800      -2.782000     -0.9293000    
 H   -5.701800     -4.4700000E-02   2.397100    
 H   -5.901500       1.458100      -1.637800    
 H   -3.315200      -2.473500      1.1400000E-02
 H   -3.397100      -1.862200      -1.633700    
 H   -3.522300      0.8836000       1.732300    
 H   -3.374600     -0.8438000       1.992200    
 H   -3.575300      0.6658000      -2.057000    
 H   -3.644200       1.798200     -0.7204000    
 H   -6.872700      -1.671000      0.9103000    
 H   -5.369100      -2.358400       1.520500    
 H   -5.568200     -0.8548000      -2.516600    
 H   -6.990300     -0.7813000      -1.478800    
 H   -7.048600      0.8404000      0.4911000    
 H   -5.666600       1.885400      0.8122000    
 H   -1.347100     -0.9961000     -0.5117000    
 H   0.5459000       2.859400     -0.2720000    
 H    3.932400       3.064500      -1.267100    
 H    2.407400       3.857400      -1.133700    
 H    2.660300      -2.632200      0.4407000    
 H    5.140300       1.594000     -0.5132000    
 H    2.618200       4.096500       1.327400    
 H    4.189300       3.286000       1.282000    
 H    3.974700       4.844300      0.4674000    
 H    7.292100      -2.273400      0.8110000    
 H    7.112200      -2.569300     -0.9368000    


%chk=000064581-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064581

0 1
O -1.661379 2.202084 -0.052652
O 0.363048 -1.618499 -0.259179
O 5.455569 -2.760042 -0.320848
O 6.655428 -0.678913 -0.262194
N -1.900143 -0.138215 -0.168525
N 2.472549 1.998520 -0.174788
C -3.378960 -0.227867 -0.114110
C -5.291604 -1.907549 -0.151690
C -5.468078 0.174387 1.284505
C -5.583672 0.362370 -1.242611
C -3.750501 -1.733508 -0.209513
C -3.925404 0.345735 1.228687
C -4.040662 0.533349 -1.302585
C -5.826774 -1.333261 1.188698
C -5.944497 -1.144621 -1.336776
C -6.116937 0.938525 0.098008
C -1.168445 1.020308 -0.126084
C 0.331011 0.815304 -0.168762
C 1.096527 1.972821 -0.149226
C 0.992501 -0.486855 -0.224476
C 2.473457 -0.450839 -0.236428
C 3.201178 0.787030 -0.204770
C 3.161213 3.317774 -0.101961
C 3.169488 -1.699186 -0.278860
C 4.634582 0.791651 -0.209627
C 4.552481 -1.669401 -0.286315
C 5.266711 -0.443632 -0.252176
C 3.612667 3.681664 1.327182
C 6.813684 -2.163586 -0.307972
H -5.536966 -2.985837 -0.220799
H -5.843709 0.586952 2.242089
H -6.041146 0.909652 -2.090688
H -3.273335 -2.286685 0.624985
H -3.353877 -2.153500 -1.156087
H -3.643447 1.411365 1.304620
H -3.447658 -0.191933 2.072061
H -3.644452 0.128521 -2.255368
H -3.758504 1.600061 -1.248247
H -6.925835 -1.468200 1.245651
H -5.383090 -1.884091 2.042658
H -5.587235 -1.561173 -2.300312
H -7.045140 -1.276215 -1.310058
H -7.220727 0.839370 0.141070
H -5.878641 2.018284 0.167563
H -1.332987 -1.011100 -0.216519
H 0.569277 2.932263 -0.110596
H 4.014181 3.313802 -0.802879
H 2.449348 4.073367 -0.474783
H 2.578921 -2.618162 -0.302861
H 5.224064 1.708361 -0.176672
H 2.745106 3.733472 2.007516
H 4.323187 2.942182 1.734261
H 4.107355 4.669507 1.324043
H 7.346235 -2.490482 0.601048
H 7.339337 -2.434430 -1.239147


