%chk=000040926.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040926

0 1
 O    2.344900     -0.2440000     -0.8491000    
 O    2.624500       1.993000       1.163400    
 O    4.879500      -1.304000      -1.424700    
 O   -3.998300       1.295000      0.7417000    
 N   8.8100001E-02  0.1554000     -0.2181000    
 N   -1.217300       1.801100     -0.9558000    
 N   -1.512100      -1.443700      0.5263000    
 N   -3.954400      -1.561300      0.2758000    
 C    1.321300     -0.5663000      0.1068000    
 C    1.864900     -0.2598000       1.499700    
 C    3.053400      0.6365000       1.230100    
 C    3.522000      0.1992000     -0.1490000    
 C    4.509100     -0.9604000     -9.9399999E-02
 C   -1.197100     -0.2604000     -3.0200001E-02
 C   -1.989300      0.7660000     -0.4854000    
 C   2.5000000E-02   1.401900     -0.7813000    
 C   -3.471900      0.8073000     -0.4904000    
 C   -4.091300     -0.5613000     -0.7924000    
 C   -2.800900      -1.894300      0.7321000    
 H    1.105700      -1.633900     -5.4000001E-03
 H    2.211700      -1.194800       1.955900    
 H    1.120000      0.1873000       2.165900    
 H    3.823400      0.5676000       2.004100    
 H    3.945600       1.024700     -0.7318000    
 H    4.076000      -1.852400      0.3644000    
 H    5.414300     -0.6832000      0.4486000    
 H   0.9037000       1.974200      -1.045300    
 H   -3.797000       1.501700      -1.275000    
 H    3.403600       2.535200      0.9519000    
 H  -0.7719000      -2.021300      0.9176000    
 H   -5.169200     -0.4199000     -0.9388000    
 H   -3.700700     -0.9737000      -1.731400    
 H    4.066900      -1.541000      -1.903600    
 H   -2.787700      -2.715300       1.468800    
 H   -3.644600       2.190900      0.8778000    


%chk=000040926-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040926

0 1
O 1.814900 -1.149403 0.430091
O 2.901303 2.122477 0.151850
O 3.679976 -2.488471 -1.282849
O -4.330165 0.618854 0.563981
N 0.075077 0.507790 0.791043
N -1.409201 2.158498 0.312253
N -1.126507 -1.486029 0.018515
N -3.314995 -1.768143 -1.111258
C 1.167219 -0.252353 1.414723
C 2.332189 0.600342 1.945091
C 3.248328 0.813006 0.718146
C 2.917583 -0.377388 -0.233523
C 4.071239 -1.364227 -0.436261
C -1.053302 -0.105569 0.206951
C -1.964528 0.917124 -0.073264
C -0.199633 1.894630 0.819769
C -3.371966 0.799558 -0.564728
C -3.640810 -0.385505 -1.520381
C -2.235914 -2.181651 -0.526056
H 0.740354 -0.933171 2.172762
H 2.857935 0.010671 2.713872
H 2.035194 1.562886 2.386663
H 4.318522 0.801634 1.011208
H 2.535476 -0.010118 -1.205679
H 4.435245 -1.712058 0.555073
H 4.904071 -0.875538 -0.971616
H 0.528798 2.629157 1.145827
H -3.629135 1.737492 -1.101424
H 3.397516 2.275274 -0.691303
H -0.265553 -2.023552 0.157751
H -4.722818 -0.373349 -1.739753
H -3.112629 -0.175608 -2.473419
H 2.882175 -2.913354 -0.875454
H -2.114652 -3.269622 -0.404288
H -4.151393 1.341716 1.219488


