%chk=000020145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020145

0 1
 O   -4.540000      -1.950500      -1.068000    
 N  -0.5249000      0.2422000     -0.1178000    
 N    2.325100      5.2499998E-02 -0.1469000    
 C   -1.877000      0.1113000     -0.6593000    
 C   -2.684400     -0.9551000      0.1080000    
 C   -4.822000      0.3253000     -0.3256000    
 C   -2.549600       1.492900     -0.7212000    
 C   -4.041400       1.417500      -1.066300    
 C   -2.858000     -0.7525000       1.621200    
 C   -4.070100     -0.9730000     -0.4949000    
 C   -5.011400      0.5605000       1.177400    
 C   -3.737700      0.4360000       2.019000    
 C   0.1324000      -1.068900     -5.1800001E-02
 C   0.2727000       1.159700     -0.9406000    
 C    1.527600     -0.9531000      0.5665000    
 C    1.673400       1.349400     -0.3529000    
 C    3.718400     -1.4500000E-02 -3.6600001E-02
 C    4.426300      -1.157000     -0.4607000    
 C    4.456000       1.058700      0.5021000    
 C    5.815100      -1.223800     -0.3502000    
 C    5.845000      0.9919000      0.6125000    
 C    6.524500     -0.1494000      0.1862000    
 H   -1.812900     -0.2432000      -1.700700    
 H   -2.281200      -1.958500     -7.4000001E-02
 H   -5.809600      0.2240000     -0.7915000    
 H   -2.100800       2.110000      -1.509000    
 H   -2.408800       2.052900      0.2076000    
 H   -4.506700       2.395300     -0.8947000    
 H   -4.124700       1.221300      -2.144200    
 H   -1.888100     -0.6687000       2.123400    
 H   -3.329200      -1.658100       2.028300    
 H   -5.726700     -0.1858000       1.549200    
 H   -5.471200       1.540300       1.351600    
 H   -3.161200       1.363000       1.969700    
 H   -4.017500      0.3350000       3.075200    
 H   0.2077000      -1.520400      -1.050200    
 H  -0.3942000      -1.775000      0.5952000    
 H  -0.1552000       2.165300     -0.9757000    
 H   0.3528000      0.7928000      -1.972700    
 H    1.450900     -0.6679000       1.623900    
 H    2.000300      -1.941500      0.5317000    
 H    2.254500       1.967600      -1.048700    
 H    1.604000       1.886900      0.6017000    
 H    3.895700      -2.002000     -0.8939000    
 H    3.960200       1.959000      0.8564000    
 H    6.344600      -2.111100     -0.6846000    
 H    6.397600       1.827000       1.032800    
 H    7.605800     -0.2014000      0.2722000    


%chk=000020145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020145

0 1
O -4.776801 -1.926903 -1.112051
N -0.556839 0.156587 -0.192008
N 2.367877 0.024765 -0.146300
C -1.943166 0.086909 -0.763685
C -2.802759 -0.983599 0.003697
C -4.930093 0.373889 -0.254896
C -2.612621 1.490433 -0.776766
C -4.141161 1.463770 -1.043559
C -2.851272 -0.801952 1.555682
C -4.235252 -0.952400 -0.523656
C -5.009118 0.596946 1.289900
C -3.653252 0.438090 2.026801
C 0.167687 -1.140454 -0.288146
C 0.286542 1.206811 -0.822384
C 1.532845 -1.061250 0.411813
C 1.663343 1.318124 -0.142784
C 3.776836 -0.010003 0.013210
C 4.493545 -1.243226 -0.081490
C 4.537910 1.179646 0.229606
C 5.896804 -1.277671 0.029863
C 5.945248 1.132976 0.329240
C 6.642074 -0.091559 0.233362
H -1.894725 -0.270832 -1.828330
H -2.406394 -1.989487 -0.224032
H -5.958383 0.320538 -0.658221
H -2.150858 2.110576 -1.567967
H -2.398543 1.994571 0.181474
H -4.567094 2.460442 -0.815788
H -4.317222 1.285457 -2.123433
H -1.815270 -0.741741 1.936953
H -3.311594 -1.716524 1.980998
H -5.729341 -0.142602 1.694475
H -5.438636 1.598650 1.489598
H -3.041183 1.346748 1.899138
H -3.843528 0.350353 3.114388
H 0.316040 -1.439961 -1.356532
H -0.419689 -1.930221 0.209089
H -0.209149 2.186167 -0.726514
H 0.439293 1.000193 -1.912968
H 1.365065 -0.893773 1.501350
H 2.043940 -2.029321 0.296772
H 2.256769 2.057032 -0.708813
H 1.527148 1.703095 0.895521
H 3.959208 -2.179056 -0.273603
H 4.037829 2.145754 0.343722
H 6.413625 -2.240849 -0.056207
H 6.497043 2.065554 0.497098
H 7.733371 -0.123791 0.315483


