%chk=000041629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041629

0 1
 O    2.000600      0.9444000       1.475300    
 O    5.597300     -0.5067000      -1.319200    
 O  -0.4443000     -0.3294000      0.4653000    
 O   -2.138800      -1.333800       1.656700    
 O   -4.512500     -0.7351000      0.4779000    
 O   -4.067600      -1.352200      -1.735900    
 N    3.681100      -1.716300      -1.063900    
 C    3.807700      0.5412000     -7.5499997E-02
 C    4.818300       1.054200      0.9618000    
 C    3.481600       1.656100      -1.081800    
 C    2.505900      0.1887000      0.6440000    
 C    4.458500     -0.6007000     -0.8565000    
 C    1.812700      -1.076200      0.2820000    
 C    5.126300     -9.7000003E-03   1.992500    
 C    2.423200       1.208100      -2.065900    
 C    2.438100      -1.922900     -0.5403000    
 C   0.4635000      -1.339500      0.8695000    
 C   -1.720800     -0.4449000      0.9312000    
 C   -2.568800      0.6693000      0.4369000    
 C   -3.919800      0.4680000      0.2357000    
 C   -1.964600       1.886700      0.1910000    
 C   -4.698800       1.527300     -0.2301000    
 C   -2.743800       2.945800     -0.2749000    
 C   -4.110700       2.766100     -0.4855000    
 C   -4.526900      -1.598800     -0.6285000    
 C   -5.197200      -2.889600     -0.2619000    
 H    4.429900       1.942100       1.476600    
 H    5.752900       1.362800      0.4768000    
 H    4.381500       1.952900      -1.635200    
 H    3.120800       2.552300     -0.5614000    
 H    4.243800     -0.3025000       2.569000    
 H    5.558900     -0.9097000       1.545300    
 H    5.860300      0.3765000       2.708500    
 H    2.723700      0.3333000      -2.648600    
 H    1.456400       1.012700      -1.594100    
 H    2.249100       2.013400      -2.789400    
 H    4.068300      -2.464300      -1.632400    
 H    1.986400      -2.865500     -0.8297000    
 H   8.2800001E-02  -2.315800      0.5447000    
 H   0.5396000      -1.352100       1.963900    
 H  -0.9056000       2.059300      0.3591000    
 H   -5.764600       1.395100     -0.3959000    
 H   -2.286800       3.911500     -0.4708000    
 H   -4.717500       3.591000     -0.8475000    
 H   -4.647500      -3.372700      0.5497000    
 H   -5.198600      -3.556600      -1.128600    
 H   -6.231500      -2.697300      3.3399999E-02


%chk=000041629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041629

0 1
O 3.153572 1.486543 1.901434
O 4.061357 -1.197037 -2.068653
O -0.867945 1.284115 1.103607
O -1.905588 -0.746039 1.600572
O -4.029768 -1.345074 -0.234274
O -1.907322 -1.688314 -1.175640
N 1.941680 -1.005604 -1.172342
C 3.842098 0.201829 -0.052742
C 4.943383 -0.592344 0.740976
C 4.527124 1.446771 -0.724214
C 2.782141 0.714227 0.957451
C 3.317436 -0.712030 -1.171154
C 1.383258 0.297750 0.803666
C 4.435217 -1.858003 1.462155
C 3.585895 2.314816 -1.585129
C 1.027812 -0.531179 -0.238418
C 0.369559 0.812871 1.801843
C -1.928781 0.377610 1.035359
C -3.042951 0.917868 0.204358
C -4.021326 0.070384 -0.387833
C -3.168854 2.320188 0.008823
C -5.097879 0.603982 -1.123126
C -4.243669 2.861176 -0.722082
C -5.215471 2.000143 -1.284461
C -2.901242 -2.135443 -0.569936
C -3.112767 -3.542435 -0.080288
H 5.371043 0.114330 1.475828
H 5.734697 -0.862259 0.017395
H 5.361524 1.067938 -1.342790
H 4.950398 2.050916 0.098986
H 3.659891 -1.615916 2.211592
H 4.014294 -2.592894 0.751160
H 5.268321 -2.352773 1.993003
H 3.168707 1.744007 -2.435219
H 2.745525 2.717307 -0.990680
H 4.139508 3.173968 -2.004617
H 1.612519 -1.606380 -1.934632
H -0.002932 -0.858901 -0.404815
H 0.074540 0.042126 2.536114
H 0.778404 1.694210 2.318355
H -2.408143 2.971081 0.447433
H -5.826949 -0.085216 -1.559018
H -4.325233 3.944843 -0.851796
H -6.056988 2.410764 -1.852144
H -2.907891 -3.556246 1.006025
H -2.419626 -4.228747 -0.587796
H -4.156079 -3.862431 -0.229038


