%chk=000031644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031644

0 1
 O    2.199000       1.535700      0.4735000    
 O    1.592600      0.9041000      -1.548300    
 O   -3.430900       1.049900      0.3838000    
 O   -3.045700     -0.9580000     -0.6000000    
 N    1.721500      0.7295000     -0.3319000    
 C    1.278500     -0.5862000      0.2088000    
 C  -0.2064000     -0.7738000     -0.1690000    
 C    1.556600     -0.5716000       1.709500    
 C    2.145900      -1.636100     -0.4904000    
 C   -1.183200      0.2823000      0.3674000    
 C   -2.627900      2.4300000E-02 -3.5000001E-03
 H  -0.3204000     -0.8240000      -1.261100    
 H  -0.5319000      -1.757600      0.1973000    
 H    1.224000      -1.514700       2.159900    
 H    2.626400     -0.4770000       1.934900    
 H    1.030600      0.2319000       2.237700    
 H    1.979900      -1.662400      -1.573900    
 H    3.215000      -1.452400     -0.3280000    
 H    1.921700      -2.637700     -0.1052000    
 H   -1.135900      0.3138000       1.460800    
 H  -0.9174000       1.269300     -2.6100000E-02
 H   -4.366900      0.8953000      0.1341000    


%chk=000031644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031644

0 1
O 2.203747 1.675909 0.439634
O 1.588927 0.958603 -1.628428
O -3.430503 1.081350 0.358557
O -3.050365 -1.047100 -0.488550
N 1.732928 0.788093 -0.360608
C 1.285048 -0.606883 0.221718
C -0.207641 -0.785105 -0.171464
C 1.528292 -0.611507 1.738877
C 2.153136 -1.664970 -0.498817
C -1.155074 0.304872 0.364611
C -2.601421 0.003913 0.018619
H -0.279950 -0.820378 -1.272447
H -0.532788 -1.773785 0.200563
H 1.177519 -1.576540 2.146797
H 2.600545 -0.503132 1.969900
H 0.997008 0.205067 2.252973
H 2.021673 -1.600886 -1.591425
H 3.222882 -1.532857 -0.259880
H 1.846511 -2.670920 -0.162516
H -1.094969 0.401702 1.465632
H -0.906831 1.302305 -0.044028
H -4.373575 0.856850 0.130581


