%chk=000005008.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005008

1 1
 O  -0.6659000       1.392100      -2.522300    
 O    2.746900      -3.031600     -0.2371000    
 N    2.998700       2.409100      0.5300000    
 C   -1.696100      0.6687000       1.066100    
 C   -3.943200     -2.8899999E-02 -4.5600001E-02
 C   -1.759000       1.211200     -0.3827000    
 C   -3.058500      0.7271000      -1.059600    
 C   -3.206600      -1.281500      0.4945000    
 C   -1.836600     -0.8671000       1.071700    
 C   -2.885800       1.262500       1.846900    
 C   -4.207100      0.9129000       1.146700    
 C  -0.5273000      0.8502000      -1.211800    
 C   -3.067000      -2.357000     -0.5417000    
 C   0.7447000       1.368500     -0.5872000    
 C   -3.598800      -3.578900     -0.4286000    
 C    1.786500      0.5116000     -0.2328000    
 C   0.8403000       2.734200     -0.3800000    
 C    2.945000       1.076400      0.3451000    
 C    1.999300       3.233900      0.1903000    
 C    1.733600     -0.8780000     -0.4241000    
 C    4.018800      0.2625000      0.7190000    
 C    2.809900      -1.684600     -4.8300002E-02
 C    3.948600      -1.115900      0.5214000    
 C    3.879500      -3.797500      0.1701000    
 H  -0.7697000      0.9582000       1.572400    
 H   -4.894400     -0.3075000     -0.5143000    
 H   -1.843800       2.305800     -0.3335000    
 H   -2.857700      9.2000000E-02  -1.929400    
 H   -3.608200       1.594800      -1.447300    
 H   -3.805300      -1.683200       1.324900    
 H   -1.762700      -1.230800       2.105300    
 H   -1.007900      -1.339400      0.5376000    
 H   -2.785400       2.351500       1.927300    
 H   -2.895000      0.8738000       2.872400    
 H   -4.892500      0.4425000       1.861800    
 H   -4.698800       1.830300      0.8009000    
 H  -0.5322000     -0.2252000      -1.370300    
 H   -2.482400      -2.139000      -1.431700    
 H   0.1825000       1.284800      -2.985700    
 H   -3.452500      -4.315600      -1.210900    
 H   -4.184900      -3.866500      0.4370000    
 H   5.2999999E-02   3.424100     -0.6637000    
 H    2.167100       4.284100      0.3861000    
 H   0.8898000      -1.390100     -0.8700000    
 H    3.836000       2.817200      0.9465000    
 H    4.910500      0.6963000       1.163700    
 H    4.816500      -1.686300      0.8343000    
 H    4.044500      -3.729200       1.250800    
 H    4.773300      -3.531600     -0.4046000    
 H    3.657300      -4.846200     -5.2999999E-02


%chk=000005008-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005008

1 1
O -0.901920 1.874784 -2.447328
O 2.693811 -2.866622 0.244401
N 3.157474 2.708187 0.279482
C -1.487898 0.189740 0.968648
C -3.924845 -0.010683 0.051547
C -1.657700 1.091815 -0.291371
C -3.021955 0.732334 -0.971163
C -3.358044 -1.443351 0.328748
C -1.820979 -1.288200 0.619218
C -2.503305 0.691456 2.034650
C -3.928018 0.773956 1.390608
C -0.493444 1.011159 -1.325141
C -3.624092 -2.421439 -0.795992
C 0.819704 1.539314 -0.753244
C -4.335133 -3.570055 -0.680544
C 1.872595 0.690532 -0.234637
C 0.999342 2.938442 -0.729384
C 3.073194 1.317193 0.283362
C 2.168705 3.511209 -0.202248
C 1.808270 -0.729707 -0.217268
C 4.146733 0.536675 0.788996
C 2.874892 -1.499455 0.283426
C 4.055510 -0.855758 0.790310
C 3.758562 -3.757532 0.751233
H -0.462266 0.261853 1.380588
H -4.951291 -0.088577 -0.350957
H -1.690933 2.148116 0.048324
H -2.856639 0.102160 -1.865156
H -3.513227 1.650586 -1.333715
H -3.860754 -1.828909 1.238008
H -1.522664 -1.954684 1.448730
H -1.246708 -1.625027 -0.268930
H -2.192621 1.678394 2.427061
H -2.499253 -0.007637 2.891944
H -4.688051 0.357447 2.076323
H -4.212418 1.826565 1.200485
H -0.382130 -0.035671 -1.671303
H -3.197962 -2.160603 -1.779322
H -0.383165 1.649808 -3.261527
H -4.498817 -4.235509 -1.535232
H -4.780343 -3.877908 0.274171
H 0.221786 3.581084 -1.147390
H 2.334328 4.589638 -0.159613
H 0.928249 -1.262891 -0.582281
H 4.010842 3.136346 0.655886
H 5.048120 1.024602 1.176906
H 4.888602 -1.447462 1.178845
H 3.941341 -3.580064 1.826564
H 4.688938 -3.630165 0.168661
H 3.362577 -4.770787 0.603221


