%chk=000022403.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022403

0 1
 O   -3.341800       1.594100     -0.9940000    
 O    3.346800       1.410900     -0.2573000    
 O    2.418300       3.144000       1.032000    
 N  -0.4484000      -2.162800     -0.3688000    
 C  -0.5168000     -0.7119000     -1.0400000E-02
 C   -1.568000     -1.8700000E-02 -0.9100000    
 C   -1.080000     -0.8171000       1.396400    
 C   0.8696000     -2.9700000E-02 -6.5600000E-02
 C   0.4439000      -2.486500      -1.468500    
 C  -0.1987000      -2.894100      0.8898000    
 C    1.936300     -0.6197000     -0.6427000    
 C    1.869700      -1.983000      -1.273100    
 C   -2.126100       1.288600     -0.3108000    
 C  -0.8386000      -2.023000       1.922500    
 C   -1.905500      0.2204000       1.950900    
 C   -2.391400       1.200700       1.172900    
 C    1.103300       1.257500      0.5574000    
 C    3.294300      3.7799999E-02 -0.6636000    
 C    2.270400       1.906200      0.4381000    
 C   -3.137300       1.686300      -2.395300    
 H   -2.408400     -0.7084000      -1.087400    
 H   -1.126900      0.1678000      -1.898300    
 H   3.5000000E-02  -2.046300      -2.387400    
 H   0.4525000      -3.568900      -1.645900    
 H   0.8634000      -3.022700       1.123900    
 H  -0.6820000      -3.875000      0.8507000    
 H    2.365900      -1.964700      -2.250900    
 H    2.430300      -2.684900     -0.6435000    
 H   -1.428200       2.117900     -0.4769000    
 H   -1.158500      -2.367000       2.895200    
 H   -2.161200      0.1809000       3.004400    
 H   -3.005700       1.975700       1.623400    
 H   0.3164000       1.719500       1.138400    
 H    3.979300     -0.5232000     -1.7300000E-02
 H    3.700900      3.8999999E-03  -1.680600    
 H   -3.110300      0.6971000      -2.861300    
 H   -2.239600       2.262600      -2.642400    
 H   -3.997500       2.213200      -2.819800    
 H    3.324200       3.429700      0.8204000    


%chk=000022403-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022403

0 1
O -3.317530 1.676531 -0.998496
O 3.117468 1.488965 -0.596915
O 2.234661 3.312098 0.511926
N -0.396679 -2.292268 -0.323220
C -0.538199 -0.836046 0.006933
C -1.578842 -0.132381 -0.913803
C -1.092895 -0.920617 1.438635
C 0.845985 -0.127559 -0.012278
C 0.469932 -2.581881 -1.478576
C -0.102063 -3.012785 0.952338
C 1.935206 -0.713312 -0.618126
C 1.924315 -2.063367 -1.305581
C -2.072570 1.221294 -0.337763
C -0.788330 -2.134090 1.982267
C -1.926031 0.156211 1.958820
C -2.400191 1.142936 1.138380
C 1.007748 1.207271 0.586617
C 3.268196 0.000832 -0.493714
C 2.085926 1.965012 0.224233
C -3.110558 2.109947 -2.380069
H -2.451503 -0.806780 -0.988811
H -1.157328 0.014279 -1.925400
H 0.016884 -2.099301 -2.365275
H 0.463348 -3.671845 -1.664747
H 0.991423 -3.107943 1.175679
H -0.520212 -4.038599 0.921683
H 2.415334 -1.997975 -2.299168
H 2.529088 -2.790594 -0.719738
H -1.295629 2.004562 -0.502898
H -1.046543 -2.474984 2.988777
H -2.217983 0.128988 3.016259
H -3.063871 1.929652 1.516018
H 0.267435 1.630376 1.265308
H 3.753840 -0.202724 0.488347
H 3.965640 -0.262418 -1.305455
H -2.877340 1.261227 -3.055200
H -2.292633 2.859543 -2.450709
H -4.059331 2.571473 -2.697598
H 3.163432 3.593474 0.305921


