%chk=000017665.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017665

0 1
 O    1.637500       2.381100     -0.3404000    
 N   -4.049100     -0.2711000     -0.1891000    
 N  -0.4578000      0.6534000     -7.2800003E-02
 C   -2.893100      0.6024000     -3.3000000E-02
 C   -1.604900     -0.1911000     -0.1948000    
 C   0.8216000      0.1646000     -0.1437000    
 C   -5.292800      0.4928000     -7.2300002E-02
 C   -4.020500      -1.347800      0.8029000    
 C    1.877300       1.218200     -1.3600000E-02
 C    1.074100      -1.141300     -0.3327000    
 C    3.179300      0.9171000      0.6300000    
 C    2.329000      -1.817700     -0.5297000    
 C    3.861100     -0.2313000      0.6062000    
 C    3.538400      -1.429300     -0.1170000    
 H   -2.901300       1.109800      0.9415000    
 H   -2.918900       1.389500     -0.7980000    
 H   -1.610700     -0.6879000      -1.173700    
 H   -1.536800     -0.9546000      0.5867000    
 H  -0.5749000       1.652800      5.8800001E-02
 H   -5.331600       1.283200     -0.8303000    
 H   -5.402600      0.9555000      0.9152000    
 H   -6.160200     -0.1526000     -0.2503000    
 H   -3.263500      -2.101900      0.5666000    
 H   -4.970400      -1.896900      0.7960000    
 H   -3.862000     -0.9767000       1.822100    
 H   0.2500000      -1.846500     -0.4261000    
 H    3.625200       1.762500       1.150500    
 H    2.255100      -2.769900      -1.052100    
 H    4.817800     -0.2613000       1.124400    
 H    4.384300      -2.080800     -0.3260000    


%chk=000017665-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017665

0 1
O 1.249358 2.256855 0.829830
N -4.104182 -0.282703 -0.103039
N -0.410403 0.442186 0.179606
C -2.871507 0.494790 0.142340
C -1.604970 -0.350892 -0.109485
C 0.887429 0.028938 0.069838
C -5.262988 0.573071 -0.434464
C -4.421485 -1.235058 0.982162
C 1.820086 1.147573 0.469630
C 1.215185 -1.277030 -0.362855
C 3.258219 1.027103 0.465542
C 2.485396 -1.882516 -0.531722
C 4.094963 -0.043242 0.128549
C 3.770005 -1.354283 -0.319573
H -2.832880 0.916592 1.180658
H -2.859817 1.353753 -0.555001
H -1.611321 -0.689932 -1.164690
H -1.615581 -1.261071 0.525227
H -0.472616 1.423205 0.512783
H -5.023328 1.207183 -1.306056
H -5.580183 1.240608 0.406034
H -6.124528 -0.063562 -0.704253
H -3.579331 -1.927707 1.151160
H -5.298478 -1.841212 0.694223
H -4.652458 -0.728805 1.953820
H 0.361150 -1.922239 -0.606398
H 3.746296 1.955733 0.790380
H 2.451812 -2.923571 -0.883375
H 5.170239 0.164199 0.226244
H 4.615519 -2.023766 -0.521815


