%chk=000005604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005604

0 1
 O   -1.873600      0.1306000       1.204600    
 O   -1.804100      -2.597600     -0.6073000    
 O   -2.657400      0.7237000      -1.638100    
 O   -5.298800      0.8727000      0.2059000    
 N   0.2929000      0.1581000      0.2422000    
 N    1.971500      -1.562300      0.4399000    
 N    4.232800     -0.7322000      8.6700000E-02
 N    4.699700       1.556700     -0.4044000    
 C  -0.8944000     -0.6577000      0.5045000    
 C   -1.553800      -1.202900     -0.7654000    
 C   -2.865600     -0.4464000     -0.8578000    
 C   -3.155600     -0.1063000      0.5998000    
 C   -4.047100       1.099300      0.8334000    
 C    1.588000     -0.2922000      0.2221000    
 C   0.2773000       1.505500     -2.1700000E-02
 C    2.415500      0.7878000     -5.9900001E-02
 C    1.577600       1.921900     -0.2128000    
 C    3.783500      0.5268000     -0.1234000    
 C    3.311500      -1.685600      0.3516000    
 H  -0.5848000      -1.461300       1.182800    
 H  -0.9212000      -1.081700      -1.651600    
 H   -3.673400      -1.028700      -1.312900    
 H   -3.589500     -0.9875000       1.090500    
 H   -3.599700       2.019000      0.4415000    
 H   -4.206700       1.250000       1.906600    
 H  -0.6482000       2.064100     -5.6699999E-02
 H   -2.260100      -2.903800      -1.409700    
 H   -3.521100       1.153900      -1.757700    
 H    1.881700       2.934800     -0.4385000    
 H   -5.850200       1.655000      0.3778000    
 H    3.703800      -2.683600      0.5151000    
 H    4.379500       2.502000     -0.5645000    
 H    5.686000       1.338800     -0.4453000    


%chk=000005604-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005604

0 1
O -1.714474 -0.521881 1.172624
O -2.135767 -2.701046 -1.074679
O -2.900055 0.888755 -1.516359
O -4.700145 1.495077 0.389129
N 0.230590 -0.095900 -0.207962
N 2.016203 -1.434963 0.828858
N 4.214090 -0.351235 0.797667
N 4.606888 1.765074 -0.126699
C -0.861588 -1.023164 0.066467
C -1.811605 -1.269294 -1.132079
C -3.069022 -0.408885 -0.856007
C -3.101478 -0.307850 0.694875
C -3.541462 1.069011 1.218876
C 1.551646 -0.316799 0.200427
C 0.160016 1.170931 -0.823655
C 2.322980 0.827810 -0.175116
C 1.423483 1.758783 -0.821600
C 3.711919 0.756965 0.160640
C 3.350970 -1.373051 1.092156
H -0.396327 -1.966872 0.397124
H -1.351544 -0.988054 -2.097400
H -3.983498 -0.907136 -1.233600
H -3.737768 -1.115046 1.103834
H -2.701049 1.778399 1.102385
H -3.828965 1.005141 2.283763
H -0.792884 1.525056 -1.217272
H -2.677548 -2.945286 -1.866788
H -3.668793 1.447896 -1.199896
H 1.656006 2.735909 -1.242943
H -5.160556 2.260483 0.811484
H 3.789966 -2.238507 1.597173
H 4.317497 2.617873 -0.595584
H 5.578274 1.632706 0.147457


