%chk=000057844.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057844

0 1
 O    1.164100       2.007400      -1.357600    
 N   -1.229800     -0.3461000      0.1404000    
 C  -0.5695000      0.9407000     -7.7600002E-02
 C  -0.1045000       1.555300       1.246300    
 C   -1.562900       1.993600     -0.5796000    
 C   1.5799999E-02   3.051100      0.9574000    
 C  -0.9217000       3.332800     -0.2191000    
 C   0.5972000      0.7426000      -1.056800    
 C   -1.669500     -0.9217000      -1.138400    
 C   -2.357800     -0.1941000       1.070200    
 C   -2.318400      -2.291400     -0.9332000    
 C   -3.029400      -1.539800       1.347500    
 C   -3.476400      -2.213500      5.5300001E-02
 C    1.627600     -0.1744000     -0.4598000    
 C    2.664300      0.3584000      0.2961000    
 C    1.531200      -1.544200     -0.6702000    
 C    3.620500     -0.4926000      0.8503000    
 C    2.487400      -2.395100     -0.1158000    
 C    3.532000      -1.869200      0.6445000    
 H   0.7922000       1.138200       1.701900    
 H  -0.8436000       1.517400       2.048200    
 H   -2.544300       2.006600     -0.1060000    
 H   -1.740000       1.933500      -1.659800    
 H    1.045400       3.332200      0.7129000    
 H  -0.2663000       3.644300       1.834800    
 H   -1.690700       4.060000      6.6799998E-02
 H  -0.3869000       3.779000      -1.063700    
 H   0.2945000      0.3809000      -2.041500    
 H  -0.9004000      -1.084000      -1.889100    
 H   -2.416200     -0.2742000      -1.617500    
 H   -3.159700      0.4527000      0.7083000    
 H   -2.062200      0.1455000       2.062900    
 H   -1.569700      -3.004200     -0.5653000    
 H   -2.682900      -2.677200      -1.892200    
 H   -3.893900      -1.398100       2.006700    
 H   -2.329100      -2.198200       1.877700    
 H   -4.300600      -1.642600     -0.3898000    
 H   -3.858100      -3.218200      0.2672000    
 H    1.940200       1.865700      -1.926400    
 H    2.768200       1.426100      0.4644000    
 H   0.7713000      -1.997300      -1.290600    
 H    4.435800     -8.3200000E-02   1.439500    
 H    2.425500      -3.466200     -0.2850000    
 H    4.278300      -2.531500       1.073400    


%chk=000057844-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057844

0 1
O 1.192511 1.823703 -1.640943
N -1.458958 -0.263666 -0.085623
C -0.651673 1.008185 -0.178185
C -0.251519 1.612581 1.199629
C -1.415584 2.216941 -0.839945
C 0.160079 3.071844 0.890111
C -0.826965 3.526207 -0.229730
C 0.610547 0.600564 -1.047774
C -2.320989 -0.534167 -1.264605
C -2.162862 -0.572827 1.179974
C -2.762583 -2.012157 -1.313553
C -2.629365 -2.047202 1.206352
C -3.510407 -2.386790 -0.015230
C 1.669255 -0.206492 -0.296503
C 2.832409 0.417219 0.225582
C 1.512377 -1.606201 -0.125160
C 3.811566 -0.339357 0.908800
C 2.487476 -2.362521 0.562456
C 3.643017 -1.732539 1.081451
H 0.533439 1.034450 1.716168
H -1.141743 1.636354 1.855469
H -2.489490 2.123699 -0.585868
H -1.327298 2.205219 -1.939092
H 1.193993 3.106873 0.509267
H 0.104563 3.710752 1.790702
H -1.634311 4.157132 0.187887
H -0.299742 4.118790 -0.995316
H 0.217200 -0.033436 -1.870347
H -1.770013 -0.275821 -2.187157
H -3.243107 0.101895 -1.254777
H -3.055666 0.089815 1.336334
H -1.476583 -0.409501 2.026225
H -1.868413 -2.656974 -1.426594
H -3.407471 -2.173415 -2.199461
H -3.177896 -2.234752 2.150062
H -1.732460 -2.697532 1.205194
H -4.456970 -1.809325 0.039287
H -3.784899 -3.458748 -0.013253
H 1.962577 1.554815 -2.203430
H 2.962991 1.497430 0.096689
H 0.611537 -2.088723 -0.518596
H 4.704299 0.157770 1.305925
H 2.350497 -3.443008 0.687025
H 4.403630 -2.320087 1.608252


