%chk=000058381.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058381

0 1
 O    3.392200      -1.843600      0.7086000    
 N    2.174600     -0.4987000     -0.7623000    
 C   4.9000001E-03  0.1581000      0.1186000    
 C   -2.019700      0.3753000      -1.390900    
 C   -1.876000      -1.536300      0.2451000    
 C   -2.247200      0.8121000       1.080700    
 C  -0.4982000      0.5774000      -1.283200    
 C  -0.3548000      -1.328900      0.3483000    
 C  -0.7249000       1.012900       1.181700    
 C   -2.351500      -1.107300      -1.152900    
 C   -2.720700       1.229400     -0.3215000    
 C   -2.577800     -0.6726000       1.306200    
 C    1.518900      0.3605000      0.2221000    
 C    1.875900       1.838500      4.4999998E-03
 C    3.368700       2.124900      0.1064000    
 C    3.035400      -1.501700     -0.4115000    
 H   -2.364000      0.6752000      -2.387100    
 H   -2.117300      -2.592300      0.4100000    
 H   -2.752300       1.421800       1.838300    
 H  -1.9400001E-02 -4.6999999E-03  -2.078600    
 H  -0.3009000       1.632800      -1.494500    
 H  -4.8000002E-03  -1.656600       1.335800    
 H   0.1297000      -1.978400     -0.3907000    
 H  -0.5396000       2.083400       1.052300    
 H  -0.3812000      0.7459000       2.189200    
 H   -3.432600      -1.268500      -1.246300    
 H   -1.870000      -1.727000      -1.919300    
 H   -2.506100       2.291900     -0.4896000    
 H   -3.808200       1.108700     -0.4002000    
 H   -3.662700     -0.8263000       1.256300    
 H   -2.258600     -0.9791000       2.310000    
 H    1.859900      6.5399997E-02   1.222700    
 H    1.572300       2.190500     -0.9853000    
 H    1.396800       2.479900      0.7481000    
 H    2.023300     -0.3189000      -1.750100    
 H    3.762200       1.806000       1.076900    
 H    3.930100       1.610400     -0.6796000    
 H    3.556200       3.198400      1.1000000E-03
 H    3.416600      -2.014100      -1.310300    


%chk=000058381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058381

0 1
O 3.165132 -1.907163 0.850300
N 2.275522 -0.477818 -0.786727
C -0.020949 0.209001 0.034161
C -2.146196 0.382937 -1.379658
C -1.871040 -1.555273 0.231601
C -2.271608 0.775807 1.123069
C -0.612751 0.634806 -1.343906
C -0.341273 -1.300191 0.267307
C -0.738279 1.024819 1.155195
C -2.432633 -1.125708 -1.151041
C -2.831630 1.210755 -0.258711
C -2.561491 -0.731059 1.350069
C 1.533674 0.433865 0.117844
C 2.002324 1.890195 -0.145649
C 3.479659 2.123284 0.237423
C 3.030632 -1.548788 -0.353836
H -2.543305 0.693083 -2.366921
H -2.062494 -2.634803 0.391454
H -2.751380 1.373964 1.923174
H -0.128344 0.059917 -2.161757
H -0.414806 1.708838 -1.533810
H 0.081190 -1.621021 1.240329
H 0.154557 -1.911851 -0.510988
H -0.549747 2.109475 1.032163
H -0.328944 0.731223 2.144079
H -3.524143 -1.314470 -1.195535
H -1.963041 -1.728349 -1.954906
H -2.650743 2.293258 -0.419194
H -3.928635 1.054815 -0.290283
H -3.655035 -0.913664 1.341518
H -2.183489 -1.046543 2.343148
H 1.849446 0.139716 1.139104
H 1.851487 2.143909 -1.215290
H 1.364387 2.584707 0.430634
H 2.247426 -0.280865 -1.790312
H 3.638932 1.951859 1.317849
H 4.149446 1.435288 -0.309580
H 3.791726 3.158282 0.006665
H 3.525615 -2.081839 -1.199985


