%chk=000029820.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029820

0 1
 O    4.820500      -1.849100      -1.361000    
 N  -0.6241000     -0.1983000     -0.1095000    
 C    1.084600      0.9971000      0.1643000    
 C  -0.1722000      0.6887000      0.9902000    
 C   0.2224000      0.5894000      -1.038800    
 C    1.508100       2.459900      0.1762000    
 C    2.340500      0.1554000      0.4495000    
 C   -2.034400      2.6000001E-02 -0.3953000    
 C    2.543700       2.719000     -0.9153000    
 C   -2.922000     -0.8161000      0.5234000    
 C    3.023600     -0.4765000     -0.5971000    
 C    2.814200      1.2000000E-02   1.759700    
 C    3.013800       4.164200     -0.9079000    
 C    4.162100      -1.239500     -0.3379000    
 C   -4.384600     -0.6067000      0.2182000    
 C    3.952700     -0.7510000       2.019100    
 C    4.626600      -1.376800      0.9702000    
 C   -5.080500      0.3948000      0.8775000    
 C   -5.007700      -1.419600     -0.7161000    
 C   -6.432800      0.5882000      0.5957000    
 C   -6.360000      -1.226100     -0.9980000    
 C   -7.072600     -0.2222000     -0.3420000    
 C    5.978000      -2.612900      -1.025000    
 H  -2.7000001E-02  0.1676000       1.942300    
 H  -0.8038000       1.564400       1.194400    
 H  -0.2856000       1.434300      -1.527600    
 H   0.6600000     -9.8999999E-03  -1.840500    
 H    1.912600       2.743100       1.156700    
 H   0.6417000       3.112700      7.1000000E-03
 H   -2.230300     -0.2803000      -1.432200    
 H   -2.319400       1.086100     -0.3387000    
 H    2.130000       2.480600      -1.901800    
 H    3.441100       2.108900     -0.7851000    
 H   -2.733100     -0.5674000       1.576000    
 H   -2.675200      -1.881300      0.4206000    
 H    2.705400     -0.3694000      -1.629200    
 H    2.306300      0.4984000       2.588200    
 H    2.177300       4.849200      -1.079300    
 H    3.478400       4.421600      4.9500000E-02
 H    3.752900       4.327700      -1.698600    
 H    4.314700     -0.8557000       3.037700    
 H    5.504000      -1.953500       1.242400    
 H   -4.590400       1.032400       1.607800    
 H   -4.460900      -2.202700      -1.233300    
 H   -6.987500       1.370300       1.105900    
 H   -6.858200      -1.856700      -1.728600    
 H   -8.125500     -7.1500003E-02 -0.5617000    
 H    5.726500      -3.462400     -0.3810000    
 H    6.764200      -1.983700     -0.5943000    
 H    6.374700      -3.025900      -1.958300    


%chk=000029820-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029820

0 1
O 4.881992 -1.948294 -1.379203
N -0.675324 -0.082160 -0.192246
C 1.187263 0.985339 0.132144
C -0.088330 0.631597 0.995947
C 0.313541 0.577991 -1.114738
C 1.592600 2.484503 0.175244
C 2.390963 0.089135 0.433613
C -2.109994 0.076147 -0.472321
C 2.607902 2.901264 -0.913521
C -2.970748 -0.706653 0.554033
C 3.115352 -0.567499 -0.581980
C 2.842011 -0.035294 1.778649
C 2.946266 4.406276 -0.854569
C 4.258096 -1.346388 -0.271227
C -4.457956 -0.581348 0.263436
C 3.978523 -0.808374 2.083242
C 4.701637 -1.475974 1.065982
C -5.220433 0.486511 0.804062
C -5.108296 -1.506729 -0.593971
C -6.593146 0.627773 0.498139
C -6.480390 -1.370665 -0.903514
C -7.228457 -0.300999 -0.358640
C 6.064844 -2.771503 -1.122355
H 0.061046 -0.004942 1.885149
H -0.660560 1.545852 1.284562
H -0.096397 1.477919 -1.630212
H 0.747221 -0.101365 -1.868194
H 2.016382 2.715184 1.174653
H 0.676576 3.101624 0.069055
H -2.309603 -0.314597 -1.489024
H -2.424711 1.153422 -0.467410
H 2.195337 2.654173 -1.913355
H 3.533866 2.305889 -0.802182
H -2.744993 -0.323931 1.568645
H -2.647661 -1.763416 0.525396
H 2.819043 -0.499383 -1.632845
H 2.298437 0.471257 2.584557
H 2.041525 5.026643 -1.000947
H 3.381947 4.675886 0.126250
H 3.676895 4.685340 -1.635795
H 4.312057 -0.900292 3.123314
H 5.579717 -2.075333 1.323257
H -4.735349 1.206340 1.475771
H -4.534644 -2.342344 -1.014710
H -7.167072 1.456353 0.929103
H -6.966450 -2.098477 -1.563519
H -8.293361 -0.195354 -0.594878
H 5.823326 -3.633232 -0.469596
H 6.879403 -2.177082 -0.663654
H 6.382903 -3.133989 -2.111097


