%chk=000055040.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055040

1 1
 O    5.523200      0.3562000     -2.4599999E-02
 N   6.7699999E-02 -0.2532000     -3.8600001E-02
 N    1.991200       1.174600     -1.3400000E-02
 N    4.156300      0.1809000     -2.7500000E-02
 N    4.493900      -2.178700     -6.6200003E-02
 N    3.933400       2.518500      1.0300000E-02
 C   -2.867400     -0.4753000      2.3800001E-02
 C   -3.315200      0.5010000       1.142500    
 C   -4.123600      -1.180800     -0.5500000    
 C   -2.098500      0.2464000      -1.110700    
 C   -1.922100      -1.555500      0.6023000    
 C   -4.409500       1.473300      0.7005000    
 C   -5.216400     -0.2112000     -0.9978000    
 C  -0.7390000      0.7957000     -0.6738000    
 C  -0.5665000      -1.004800       1.047400    
 C   -5.614900      0.7420000      0.1223000    
 C    1.458200     -8.3999999E-02 -3.4600001E-02
 C    2.268300      -1.228100     -5.2499998E-02
 C    3.643600      -1.056900     -4.8300002E-02
 C    3.337400       1.239800     -1.1000000E-02
 H   -3.698000     -7.9999998E-02   1.992700    
 H   -2.471100       1.080300       1.530600    
 H   -3.847200      -1.822900      -1.395700    
 H   -4.546100      -1.846800      0.2147000    
 H   -2.686600       1.066100      -1.536300    
 H   -1.929700     -0.4638000      -1.932300    
 H   -1.746300      -2.326300     -0.1610000    
 H   -2.397500      -2.064400       1.450200    
 H   -4.012000       2.176300     -4.0199999E-02
 H   -4.728500       2.074900       1.559500    
 H   -6.096100     -0.7796000      -1.321800    
 H   -4.878100      0.3617000      -1.868700    
 H  -0.8625000       1.640900      1.3200000E-02
 H  -0.2311000       1.178200      -1.568600    
 H   5.1300000E-02  -1.852600       1.365200    
 H  -0.6797000     -0.3560000       1.923900    
 H   -6.112500      0.1763000      0.9198000    
 H   -6.343700       1.469200     -0.2526000    
 H    1.837500      -2.224400     -8.4500000E-02
 H    4.420500      -2.763000      0.7620000    
 H    4.423000      -2.734500     -0.9140000    
 H    4.918300       2.657300      0.1773000    
 H    3.318400       3.322100      2.9700000E-02
 H    5.643600       1.204900     -0.4769000    


%chk=000055040-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055040

1 1
O 5.409991 0.091693 -0.920878
N 0.093893 0.020014 0.659531
N 1.932192 1.116709 -0.286624
N 4.020202 0.007359 -0.536998
N 4.572205 -2.022118 0.524662
N 3.756365 2.236195 -1.269242
C -2.808678 -0.360983 0.019582
C -3.629816 0.075498 1.275029
C -3.798886 -0.883352 -1.065590
C -1.949225 0.809651 -0.549435
C -1.838928 -1.525471 0.375457
C -4.772132 1.071591 0.950602
C -4.934909 0.110716 -1.404152
C -0.766550 1.201705 0.362372
C -0.652867 -1.107387 1.276592
C -5.720203 0.509824 -0.133406
C 1.418296 -0.009450 0.355281
C 2.292374 -1.099850 0.705507
C 3.620504 -1.076494 0.267528
C 3.199034 1.142011 -0.681292
H -4.077790 -0.836035 1.723059
H -2.970951 0.510605 2.053554
H -3.234412 -1.146070 -1.983722
H -4.255139 -1.825237 -0.694149
H -2.568387 1.711118 -0.704393
H -1.553173 0.519020 -1.543016
H -1.432892 -1.959534 -0.560654
H -2.395888 -2.331391 0.891684
H -4.352670 2.039203 0.607051
H -5.337233 1.290953 1.876296
H -5.615427 -0.348584 -2.145688
H -4.518853 1.019874 -1.883740
H -1.136074 1.594611 1.329710
H -0.140385 1.972345 -0.107282
H 0.011714 -1.969230 1.436259
H -1.015120 -0.776123 2.269095
H -6.243123 -0.382804 0.267524
H -6.500953 1.253217 -0.380508
H 1.971825 -1.928866 1.335325
H 5.551641 -1.839441 0.306915
H 4.332941 -2.853136 1.060814
H 4.760348 2.296081 -1.432843
H 3.164359 3.053399 -1.408325
H 5.458779 -0.278036 -1.851194


