%chk=000045032.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045032

0 1
 O   0.7593000      -1.814000      0.2627000    
 N   -1.838100     -0.7880000      0.1045000    
 N   0.1830000      0.4525000     -2.9800000E-02
 N   -2.024200       1.409300     -0.1734000    
 N    6.560900      0.6527000     -0.1103000    
 C   -3.185600     -0.5377000      5.9300002E-02
 C   -3.275700      0.8407000     -0.1147000    
 C   -1.186700      0.4054000     -3.9000001E-02
 C   -4.299300      -1.373000      0.1528000    
 C   -4.544400       1.438300     -0.2025000    
 C    2.506400     -0.2962000      5.8499999E-02
 C    1.059400     -0.6341000      0.1171000    
 C   -5.554100     -0.7612000      6.3100003E-02
 C   -5.676600      0.6191000     -0.1112000    
 C    3.397000      -1.258700     -0.3671000    
 C    2.909200      0.9690000      0.4308000    
 C    5.188800      0.3311000     -5.2200001E-02
 C    4.754200     -0.9414000     -0.4231000    
 C    4.266400       1.286200      0.3746000    
 H   -1.409400      -1.696000      0.2230000    
 H   -4.201600      -2.444100      0.2882000    
 H   0.5536000       1.383600     -0.1907000    
 H   -4.650400       2.509900     -0.3381000    
 H   -6.450500      -1.372700      0.1306000    
 H   -6.665500       1.065500     -0.1774000    
 H    3.076000      -2.252100     -0.6657000    
 H    2.233100       1.729000      0.8074000    
 H    5.463300      -1.693700     -0.7592000    
 H    4.594300       2.278400      0.6744000    
 H    6.876700       1.574400      0.1606000    
 H    7.230600     -4.0100001E-02 -0.4175000    


%chk=000045032-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045032

0 1
O 0.652481 -1.744873 -0.115311
N -1.877781 -0.857160 -0.046363
N 0.144977 0.521337 0.008989
N -2.086955 1.428415 0.071524
N 6.699198 0.548954 -0.012375
C -3.257807 -0.602184 -0.023657
C -3.370752 0.833174 0.050406
C -1.244922 0.379719 0.012102
C -4.383716 -1.447765 -0.058815
C -4.647823 1.436649 0.090710
C 2.507648 -0.181159 -0.033646
C 1.064023 -0.532624 -0.049427
C -5.650502 -0.823230 -0.017878
C -5.779679 0.594391 0.055838
C 3.440358 -1.250231 -0.141609
C 3.020692 1.141372 0.084998
C 5.331257 0.309782 -0.018789
C 4.821218 -1.019470 -0.135882
C 4.401727 1.388266 0.092837
H -1.338172 -1.729298 -0.097311
H -4.290718 -2.537206 -0.114822
H 0.457614 1.492174 0.048392
H -4.742865 2.525213 0.147157
H -6.554041 -1.442487 -0.043091
H -6.781629 1.036643 0.085848
H 3.041374 -2.265874 -0.229869
H 2.356262 2.008993 0.181008
H 5.518197 -1.861630 -0.221835
H 4.772270 2.415835 0.187088
H 7.065531 1.493349 0.069265
H 7.362634 -0.216974 -0.089781


