%chk=000227114.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227114

0 1
 O   0.2809000      -2.355200     -4.8599999E-02
 N    1.733000     -0.3935000     -0.1184000    
 C    3.030600      0.1043000      0.2700000    
 C    4.138000     -0.8390000     -0.2073000    
 C    3.241300       1.524300     -0.2607000    
 C    5.523100     -0.3037000      0.1460000    
 C    4.628200       2.056400      9.0999998E-02
 C    5.730300       1.112800     -0.3823000    
 C   0.6674000      0.4860000      0.3765000    
 C    1.507600      -1.746500      0.4001000    
 C  -0.6868000     -0.1319000      0.1537000    
 C  -0.8043000      -1.516000     -2.8800000E-02
 C   -4.322100      0.9208000     -1.7800000E-02
 C   -3.094800      7.2899997E-02 -2.7799999E-02
 C   -1.842800      0.6574000      0.1670000    
 C   -2.055900      -2.098700     -0.2332000    
 C   -3.200700      -1.302600     -0.2312000    
 C   -5.306400      0.4775000       1.108500    
 C   -5.086100      0.8260000      -1.374700    
 C   -4.080400       2.448700      0.2180000    
 H    3.095800      0.1511000       1.368000    
 H    4.073100     -0.9886000      -1.292900    
 H    4.083600      -1.824000      0.2655000    
 H    2.526900       2.235600      0.1666000    
 H    3.112700       1.547000      -1.350900    
 H    6.292000     -0.9662000     -0.2677000    
 H    5.650700     -0.3080000       1.235600    
 H    4.704300       2.189200       1.177300    
 H    4.770600       3.044300     -0.3618000    
 H    6.705200       1.490200     -5.4000001E-02
 H    5.747400       1.093800      -1.479000    
 H   0.6681000       1.429200     -0.1798000    
 H   0.7767000      0.7002000       1.447800    
 H    2.254600      -2.451500      3.3300001E-02
 H    1.530600      -1.782900       1.498100    
 H   -1.717300       1.722500      0.3305000    
 H   -2.146800      -3.170200     -0.3892000    
 H   -4.163200      -1.781200     -0.3876000    
 H   -6.195800       1.117700       1.135600    
 H   -5.653800     -0.5518000      0.9668000    
 H   -4.823000      0.5309000       2.091100    
 H   -5.428400     -0.1939000      -1.581500    
 H   -5.972300       1.471100      -1.379300    
 H   -4.441600       1.133500      -2.206600    
 H   -5.026600       3.003400      0.2112000    
 H   -3.607500       2.635900       1.189100    
 H   -3.450300       2.882100     -0.5675000    


%chk=000227114-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227114

0 1
O 0.315005 -2.376133 0.195496
N 1.751478 -0.419604 0.242092
C 3.159049 0.059964 0.424191
C 4.140656 -0.819567 -0.397180
C 3.315853 1.540285 -0.004908
C 5.605630 -0.344562 -0.249010
C 4.779139 2.025038 0.136935
C 5.758928 1.136382 -0.661499
C 0.662037 0.525556 0.589882
C 1.472914 -1.722818 0.842336
C -0.695933 -0.124904 0.336838
C -0.800926 -1.519259 0.114241
C -4.434209 0.952542 -0.099212
C -3.141718 0.105421 -0.018673
C -1.873728 0.659083 0.274807
C -2.049634 -2.103716 -0.198111
C -3.198946 -1.297250 -0.263230
C -5.471656 0.418845 0.934564
C -5.036936 0.841784 -1.532586
C -4.179623 2.451755 0.203460
H 3.456125 0.000201 1.506484
H 3.828135 -0.769421 -1.458614
H 4.072092 -1.881328 -0.094598
H 2.664331 2.193543 0.604898
H 2.989080 1.637349 -1.060484
H 6.266943 -0.986870 -0.861640
H 5.930551 -0.466403 0.805523
H 5.066799 2.011484 1.208938
H 4.851343 3.077859 -0.197790
H 6.800772 1.475935 -0.503413
H 5.546165 1.237547 -1.745609
H 0.743817 1.422003 -0.046967
H 0.728222 0.872327 1.655631
H 2.311247 -2.415660 0.696399
H 1.228154 -1.645803 1.933017
H -1.778499 1.737152 0.447929
H -2.096798 -3.182387 -0.377227
H -4.157171 -1.771305 -0.505367
H -6.410348 1.001669 0.872131
H -5.719013 -0.642388 0.752986
H -5.078222 0.502229 1.964329
H -5.275889 -0.204819 -1.793145
H -5.970479 1.431872 -1.603807
H -4.325510 1.223123 -2.287808
H -5.132557 3.008633 0.139030
H -3.771942 2.600537 1.220687
H -3.478928 2.903478 -0.523247


