%chk=000056845.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056845

0 1
 O    2.286900      -1.237500      0.1680000    
 O   -2.690300      -2.451900      8.7000001E-03
 O    2.598700       2.746700      0.4440000    
 N   -1.934200       2.464500     -0.2706000    
 N    1.484700       1.083100     -0.7275000    
 C   -2.780700       1.793100      -1.256600    
 C   -2.799700       2.680600      0.8885000    
 C   -4.095200       2.552200      -1.151300    
 C   -4.106100       3.138400      0.2571000    
 C  -0.7459000       1.692000      5.9599999E-02
 C   0.3050000       1.847000      -1.029800    
 C    2.551100       1.604000     -4.1000000E-03
 C    3.708000      0.6950000      0.2015000    
 C   0.8823000      -2.692500      -1.121600    
 C  -0.3041000      -2.470700     -0.1900000    
 C    2.207900      -2.548400     -0.3878000    
 C   -1.629800      -2.657100     -0.9142000    
 C    3.528400     -0.6862000      0.2788000    
 C   -5.046800      -2.380400      0.4293000    
 C   -3.959700      -2.612800     -0.6103000    
 C    4.986800       1.239600      0.3189000    
 C   -4.977000     -0.9719000       1.012600    
 C    4.627800      -1.522500      0.4734000    
 C    6.086000      0.4032000      0.5136000    
 C    5.906600     -0.9777000      0.5909000    
 C   -6.090700     -0.7297000       2.018800    
 H   -2.374600       1.851100      -2.271000    
 H   -2.943700      0.7371000      -1.006100    
 H   -2.963600       1.751600       1.449700    
 H   -2.396900       3.435100       1.571400    
 H   -4.137700       3.361700      -1.889400    
 H   -4.953800       1.895500      -1.324400    
 H   -4.971700       2.794200      0.8324000    
 H   -4.150900       4.232400      0.2033000    
 H  -0.9840000      0.6378000      0.2384000    
 H  -0.3133000       2.068700      0.9964000    
 H   0.5812000       2.900400      -1.155600    
 H  -6.3000001E-02   1.477500      -1.992700    
 H    1.534000      0.1397000      -1.096400    
 H   0.8251000      -3.690600      -1.571100    
 H   0.8350000      -1.960200      -1.936800    
 H  -0.2717000      -1.472800      0.2573000    
 H  -0.2558000      -3.172300      0.6527000    
 H    3.002500      -2.730400      -1.122700    
 H    2.279300      -3.288100      0.4178000    
 H   -1.712900      -1.933900      -1.734100    
 H   -1.694100      -3.670400      -1.327500    
 H   -6.027700      -2.548900     -2.9800000E-02
 H   -4.931600      -3.106900       1.242900    
 H   -4.048100      -3.629400      -1.010200    
 H   -4.065600      -1.898700      -1.435400    
 H    5.149200       2.312500      0.2570000    
 H   -5.059200     -0.2332000      0.2076000    
 H   -4.012400     -0.8077000       1.506300    
 H    4.532400      -2.599800      0.5717000    
 H    7.081600      0.8272000      0.6057000    
 H    6.762000      -1.627900      0.7497000    
 H   -7.073900     -0.8457000       1.551800    
 H   -6.023400      0.2866000       2.419900    
 H   -6.022200      -1.431200       2.856400    


%chk=000056845-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056845

0 1
O 2.450823 -1.354323 -0.627057
O -2.558726 -2.647151 0.004400
O 2.546500 2.813036 0.258353
N -2.081079 2.640641 -0.293269
N 1.356631 1.084434 -0.744864
C -2.932328 2.063304 -1.368811
C -3.002126 2.899674 0.843609
C -4.306597 2.785738 -1.224804
C -4.232492 3.524655 0.152071
C -0.887391 1.850719 0.051724
C 0.191880 1.920564 -1.058246
C 2.460116 1.587381 -0.085404
C 3.593170 0.620548 0.208800
C 0.969895 -3.125547 -1.352377
C -0.176181 -2.787015 -0.372523
C 2.361713 -2.819336 -0.791433
C -1.556609 -2.976530 -1.009959
C 3.600586 -0.788439 -0.034444
C -4.888015 -2.383562 0.642141
C -3.937146 -2.777508 -0.493311
C 4.747929 1.192613 0.799254
C -4.749678 -0.904763 1.067681
C 4.726456 -1.576118 0.308750
C 5.874901 0.419212 1.140190
C 5.859920 -0.971264 0.892859
C -5.696641 -0.524461 2.224884
H -2.475130 2.221066 -2.361942
H -3.058597 0.957712 -1.224867
H -3.291965 1.953080 1.370167
H -2.527684 3.569740 1.582103
H -4.477584 3.501567 -2.046574
H -5.132634 2.052639 -1.247119
H -5.152505 3.405056 0.750580
H -4.061009 4.603577 -0.003750
H -1.147987 0.774760 0.246967
H -0.446413 2.259966 0.978671
H 0.525883 2.966091 -1.161582
H -0.229372 1.587527 -2.025100
H 1.355838 0.081227 -0.961110
H 0.941265 -4.203603 -1.610677
H 0.842014 -2.568789 -2.302210
H -0.086939 -1.741015 -0.026108
H -0.109906 -3.427565 0.527810
H 3.155224 -3.154286 -1.488952
H 2.513341 -3.305583 0.193717
H -1.673075 -2.309702 -1.896387
H -1.692526 -4.027728 -1.357082
H -5.928584 -2.584644 0.313771
H -4.690811 -3.041613 1.511233
H -4.118704 -3.827411 -0.817107
H -4.081191 -2.112969 -1.376918
H 4.712390 2.271974 0.981870
H -4.953364 -0.254419 0.191192
H -3.699230 -0.718368 1.359232
H 4.730939 -2.653538 0.122936
H 6.751366 0.892476 1.593921
H 6.725742 -1.590728 1.152180
H -6.756199 -0.683291 1.946749
H -5.577286 0.538031 2.508162
H -5.490319 -1.136638 3.123107


