%chk=000007994.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007994

0 1
 O    3.250600      0.2682000     -0.1291000    
 N  -0.3213000     -0.5853000      0.1570000    
 C   -1.530600      3.1800002E-02 -0.3435000    
 C   0.8625000      0.1773000     -0.2288000    
 C   -1.655200       1.434500      0.2365000    
 C   -2.731500     -0.8297000      2.5000000E-02
 C    2.125500     -0.4968000      0.2829000    
 H   -1.496900      9.6500002E-02  -1.438200    
 H  -0.3580000     -0.6713000       1.172500    
 H   0.8588000       1.192700      0.1814000    
 H   0.9251000      0.2736000      -1.319900    
 H   -2.659900       1.832000      4.8400000E-02
 H   -1.504800       1.449100       1.322300    
 H  -0.9617000       2.144700     -0.2248000    
 H   -2.634200      -1.838700     -0.3912000    
 H   -3.655700     -0.3961000     -0.3723000    
 H   -2.845200     -0.9213000       1.111200    
 H    2.232000      -1.504500     -0.1315000    
 H    2.135300     -0.5696000       1.375600    
 H    3.173800       1.147700      0.2785000    


%chk=000007994-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000007994

0 1
O 3.438029 0.089401 -0.188977
N -0.283105 -0.421546 0.262139
C -1.565869 0.088534 -0.287579
C 0.948371 0.285238 -0.131986
C -1.913320 1.539666 0.149375
C -2.693402 -0.891380 0.095767
C 2.182599 -0.585767 0.175400
H -1.456516 0.078307 -1.391623
H -0.341881 -0.572834 1.279354
H 1.082832 1.284761 0.360271
H 0.911255 0.473139 -1.221626
H -2.838120 1.891452 -0.345291
H -2.072754 1.587729 1.244317
H -1.102335 2.243845 -0.112436
H -2.452808 -1.909483 -0.255277
H -3.656470 -0.579145 -0.346599
H -2.825074 -0.926963 1.195554
H 2.160185 -1.502519 -0.432831
H 2.186517 -0.878267 1.249527
H 3.500466 0.940633 0.314522


