%chk=000018581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018581

0 1
 O   -2.067200       1.015500       2.576400    
 N    3.378700       1.289500      -1.224400    
 C    1.874000       1.703900      0.7837000    
 C    2.201100      0.8043000     -0.4836000    
 C   0.5402000       1.209700       1.435500    
 C    1.756300       3.198800      0.4171000    
 C    3.024100       1.564200       1.812900    
 C    2.334100     -0.6905000     -0.2060000    
 C  -0.7352000       1.365800      0.5943000    
 C    3.249500       2.718200      -1.488600    
 C    3.530300      0.5423000      -2.467800    
 C    1.203500      -1.476900     -0.2521000    
 C    3.580500      -1.202600      8.2300000E-02
 C   -1.976100      0.9151000       1.355000    
 C    1.325600      -2.843000      2.6000000E-03
 C    3.702500      -2.568500      0.3368000    
 C    2.575100      -3.388700      0.2969000    
 C   -3.118500      0.3402000      0.5849000    
 C   0.1199000      -3.720200     -3.9000001E-02
 C   -3.327000      0.7703000     -0.7055000    
 C   -3.918600     -0.5981000       1.195800    
 C   -4.394400      0.2324000      -1.424600    
 C   -4.985800      -1.136000      0.4768000    
 C   -5.223700     -0.7209000     -0.8335000    
 C   -4.648800      0.6752000      -2.825900    
 H    1.349600      0.9189000      -1.171200    
 H   0.6321000      0.1727000       1.778900    
 H   0.3972000       1.780200       2.365300    
 H    2.645000       3.816000      0.5533000    
 H    1.147400       3.415600     -0.4633000    
 H    1.131800       3.651200       1.207600    
 H    3.083000      0.5527000       2.226500    
 H    2.858800       2.238600       2.662000    
 H    3.998400       1.819000       1.383500    
 H  -0.8913000       2.420000      0.3400000    
 H  -0.6543000      0.8081000     -0.3378000    
 H    3.761600       3.334000     -0.7523000    
 H    2.296600       3.044800      -1.909900    
 H    3.918100       2.943200      -2.337900    
 H    4.400400      0.9139000      -3.023800    
 H    2.656400      0.6522000      -3.122200    
 H    3.726800     -0.5258000      -2.347800    
 H   0.2325000      -1.076000     -0.5120000    
 H    4.473000     -0.5876000      0.1447000    
 H    4.674500      -2.992800      0.5712000    
 H    2.683500      -4.451500      0.4967000    
 H  -0.7716000      -3.179200      0.2966000    
 H  -4.9100000E-02  -4.078000      -1.059500    
 H   0.2362000      -4.586300      0.6211000    
 H   -2.700700       1.524400      -1.172300    
 H   -3.741100     -0.9344000       2.212700    
 H   -5.630400      -1.879600      0.9363000    
 H   -6.057200      -1.149600      -1.383600    
 H   -4.412000       1.737300      -2.950800    
 H   -4.035600      9.3000002E-02  -3.520800    
 H   -5.701800      0.5478000      -3.099200    


%chk=000018581-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018581

0 1
O -1.674306 0.129316 2.680830
N 3.647276 1.328632 -1.167730
C 1.821116 1.788998 0.661994
C 2.320745 0.921848 -0.586937
C 0.633854 1.064668 1.389366
C 1.296407 3.195260 0.224450
C 2.942738 1.970298 1.722934
C 2.399394 -0.578376 -0.251367
C -0.685751 0.948487 0.603831
C 3.814889 2.758064 -1.510123
C 3.989177 0.499762 -2.352792
C 1.442259 -1.485400 -0.765156
C 3.446191 -1.090454 0.559163
C -1.833252 0.386317 1.450742
C 1.471063 -2.870434 -0.457842
C 3.497744 -2.465478 0.868987
C 2.512433 -3.351158 0.373642
C -3.168919 0.147910 0.793446
C 0.401579 -3.806813 -0.995182
C -3.414004 0.449365 -0.574046
C -4.218107 -0.397649 1.579422
C -4.678362 0.218706 -1.166485
C -5.481063 -0.635252 1.002498
C -5.709676 -0.330100 -0.358709
C -4.936710 0.550176 -2.626604
H 1.522531 1.042855 -1.370689
H 0.947196 0.057521 1.715594
H 0.428764 1.629226 2.319683
H 2.099747 3.941573 0.130146
H 0.759486 3.159748 -0.742048
H 0.593430 3.579533 0.988337
H 3.114488 1.035419 2.284357
H 2.644408 2.745476 2.453623
H 3.900031 2.267413 1.262161
H -1.005310 1.937279 0.216557
H -0.563440 0.301198 -0.285374
H 3.840124 3.383624 -0.606240
H 3.020552 3.155109 -2.190780
H 4.786530 2.880148 -2.021608
H 4.992700 0.784564 -2.715516
H 3.264877 0.630764 -3.197322
H 4.010884 -0.567764 -2.086472
H 0.661197 -1.112373 -1.442504
H 4.234016 -0.412076 0.899174
H 4.312702 -2.852417 1.491842
H 2.559285 -4.418876 0.620827
H -0.502095 -3.786038 -0.355265
H 0.085870 -3.520718 -2.014731
H 0.757427 -4.851464 -1.027979
H -2.614121 0.872738 -1.191954
H -4.013447 -0.623386 2.631102
H -6.289406 -1.057926 1.609410
H -6.696233 -0.517943 -0.800959
H -4.024783 0.918656 -3.126960
H -5.292269 -0.336594 -3.183694
H -5.713952 1.330836 -2.729046


