%chk=000031607.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031607

0 1
 O   -1.634000      -2.307800     -0.1911000    
 O    1.307700     -0.1342000      0.1318000    
 O   -1.057500       1.570600       1.683400    
 O    4.787900      0.2007000      5.5300001E-02
 O    3.189900       1.660000      0.4237000    
 N   -1.139700       2.082300     -0.5802000    
 N   -2.976700      -1.973200     -6.3699998E-02
 N    3.556400      0.4759000      0.1633000    
 C   -1.694000     -0.1521000      0.2574000    
 C  -0.8752000      -1.199400      5.2999998E-03
 C   -2.982500     -0.6649000      0.2072000    
 C   0.5422000      -1.239600     -6.4599998E-02
 C   -1.272900       1.221600      0.5228000    
 C    1.332000      -2.334800     -0.3254000    
 C   -4.265200      3.0600000E-02  0.4066000    
 C    2.669200      -1.872600     -0.2870000    
 C    2.601000     -0.5280000     -5.2000000E-03
 C  -0.7269000       3.463000     -0.3653000    
 C   -1.361600       1.701800      -1.974400    
 H   0.9984000      -3.344600     -0.5202000    
 H   -4.279000      0.5430000       1.374000    
 H   -4.420700      0.7780000     -0.3782000    
 H   -5.113800     -0.6613000      0.3838000    
 H    3.566900      -2.453400     -0.4455000    
 H   0.2166000       3.632800     -0.8921000    
 H  -0.5852000       3.687100      0.6948000    
 H   -1.496600       4.127700     -0.7682000    
 H   -2.117700       2.367800      -2.400600    
 H   -1.700300      0.6724000      -2.090600    
 H  -0.4210000       1.824900      -2.519600    


%chk=000031607-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031607

0 1
O -1.672464 -2.414099 -0.053313
O 1.170634 -0.083686 -0.257946
O -2.023947 1.719671 1.601242
O 4.723550 0.246923 -0.496966
O 3.040060 1.811532 -0.656783
N -1.039996 2.129589 -0.480137
N -3.103819 -2.121900 0.110968
N 3.474743 0.600066 -0.497869
C -1.878826 -0.138030 0.123672
C -0.977410 -1.191764 -0.034690
C -3.177208 -0.774919 0.228919
C 0.453116 -1.288276 -0.129158
C -1.639231 1.309443 0.453320
C 1.344104 -2.371154 -0.112803
C -4.501771 -0.109353 0.459645
C 2.665546 -1.834088 -0.231741
C 2.518885 -0.451640 -0.320054
C -0.673486 3.504436 -0.092080
C -0.685343 1.738145 -1.852476
H 1.061428 -3.416939 -0.019197
H -4.451855 0.502486 1.376768
H -4.754664 0.566207 -0.377351
H -5.298760 -0.862559 0.560237
H 3.608224 -2.374393 -0.254952
H 0.422502 3.633105 -0.167955
H -0.995065 3.675194 0.945942
H -1.169032 4.237830 -0.755242
H -1.130002 2.456406 -2.567520
H -1.074414 0.735071 -2.083081
H 0.412200 1.740998 -1.981903


