%chk=000038045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038045

0 1
 O   -2.778200      0.2901000     -9.9999997E-05
 O   -2.726100       2.570800     -9.3000000E-03
 O    1.284300       2.620100      1.7000001E-02
 O  -0.6365000       3.698000      8.3999997E-03
 N    1.440200      0.2338000      1.5799999E-02
 N   4.9400002E-02   2.669700      1.0200000E-02
 C    2.206900      0.1927000       1.259600    
 C    2.228700      0.3015000      -1.213100    
 C    3.172900     -0.9895000       1.235900    
 C    3.195100     -0.8791000      -1.276300    
 C    4.051000     -0.9642000     -1.3800000E-02
 C   8.9199997E-02  0.3017000      7.0000002E-03
 C  -0.6753000     -0.9725000     -9.9999997E-05
 C  -0.6496000       1.424000      4.4999998E-03
 C   -2.074300     -0.9309000     -1.6000000E-03
 C  -8.2800001E-02  -2.246700     -7.1999999E-03
 C   -2.117700       1.507100     -2.9000000E-03
 C   -2.864600      -2.084400     -7.3000002E-03
 C  -0.8618000      -3.411600     -1.3600000E-02
 C   -2.251000      -3.330500     -1.3300000E-02
 H    1.546100      0.1012000       2.130600    
 H    2.775900       1.121500       1.386200    
 H    2.808300       1.231200      -1.251700    
 H    1.583500      0.2869000      -2.100200    
 H    2.627900      -1.936700       1.287900    
 H    3.810400     -0.9536000       2.127200    
 H    3.845400     -0.7727000      -2.152200    
 H    2.642800      -1.815300      -1.410500    
 H    4.726300     -0.1009000      2.9999999E-02
 H    4.678000      -1.862100     -4.7600001E-02
 H   0.9909000      -2.375100     -2.0400001E-02
 H   -3.948400      -2.013700     -8.3999997E-03
 H  -0.3764000      -4.383700     -2.1800000E-02
 H   -2.850700      -4.235500     -1.9099999E-02


%chk=000038045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038045

0 1
O -2.825597 0.291184 -0.203416
O -2.694977 2.484321 -0.872525
O 0.951023 2.823172 0.541584
O -0.039947 3.378349 -1.440218
N 1.431361 -0.026276 -0.023885
N 0.149346 2.574521 -0.453277
C 2.109892 -0.576185 1.188026
C 2.344790 0.764198 -0.888571
C 3.319717 -1.457347 0.819524
C 3.535446 -0.118056 -1.327907
C 4.291330 -0.687810 -0.105931
C 0.045870 0.105115 -0.070894
C -0.801840 -1.077869 0.160045
C -0.601968 1.308617 -0.415654
C -2.217824 -0.922909 0.118393
C -0.293893 -2.399890 0.331080
C -2.050689 1.469922 -0.567257
C -3.094724 -2.006591 0.347900
C -1.154778 -3.485851 0.551359
C -2.561344 -3.285285 0.582060
H 1.379707 -1.119685 1.806724
H 2.457466 0.295450 1.784673
H 2.715228 1.658153 -0.343785
H 1.783890 1.115082 -1.771723
H 2.974321 -2.378799 0.309803
H 3.831940 -1.768389 1.749599
H 4.211713 0.498118 -1.949922
H 3.163579 -0.945617 -1.962586
H 4.752085 0.147066 0.460325
H 5.115106 -1.347722 -0.434498
H 0.782351 -2.572584 0.255639
H -4.172226 -1.822825 0.315294
H -0.742243 -4.491184 0.681822
H -3.234312 -4.130792 0.758001


