%chk=000094106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094106

0 1
 O  -0.8555000      -1.545700     -6.0999999E-03
 O   -2.290200      -3.292000     -1.5400000E-02
 O    6.528100      0.3044000      0.5965000    
 O    5.398700       1.948500     -0.4933000    
 N    2.553200       1.643800      2.2700001E-02
 C   -2.989900      0.2595000      9.3000000E-03
 C   -1.683700      0.7839000      1.1200000E-02
 C  -0.5496000     -0.1567000      2.9000000E-03
 C   0.7469000      0.1828000      2.6000000E-03
 C   -3.227500      -1.122500      5.0000002E-04
 C   -4.105700       1.138400      1.6799999E-02
 C    1.944000     -0.6362000     -2.3700001E-02
 C    2.997800      0.2962000     -1.0200000E-02
 C   -1.511700       2.178800      2.1400001E-02
 C   -2.105300      -2.082000     -7.7000000E-03
 C    1.250800       1.574000      3.0099999E-02
 C   -3.898300       2.522400      2.5800001E-02
 C   -4.534200      -1.629300     -3.9999999E-04
 C   -5.407700      0.6159000      1.5400000E-02
 C   -2.608300       3.038800      2.8400000E-02
 C    2.172000      -1.998300     -5.5399999E-02
 C    4.314500     -0.1329000     -2.8600000E-02
 C   -5.619600     -0.7598000      7.1000000E-03
 C    3.499400      -2.432000     -7.4100003E-02
 C    4.560500      -1.508900     -6.0699999E-02
 C    5.421300      0.8092000     -1.5100000E-02
 H  -0.6640000       2.721700     -0.3384000    
 H   0.7675000       2.472300      0.3708000    
 H   -4.739700       3.211900      1.4300000E-02
 H   -4.725500      -2.699200     -7.0000002E-03
 H   -6.271200       1.277800      2.1100000E-02
 H   -2.460000       4.113300     -4.0399998E-02
 H    1.368800      -2.724800     -6.7100003E-02
 H   -6.631700      -1.153600      6.3000000E-03
 H    3.717200      -3.496500     -0.1019000    
 H    5.575200      -1.899500     -8.7600000E-02
 H    7.268400      0.9482000      0.6002000    


%chk=000094106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094106

0 1
O -0.789366 -1.397723 -0.247567
O -2.087693 -3.273887 -0.117001
O 6.760371 -0.079867 0.555513
O 5.639129 1.945837 0.409099
N 2.645854 1.658341 0.556971
C -3.050998 0.291908 -0.025332
C -1.746168 0.872897 -0.230522
C -0.571677 -0.002262 -0.149798
C 0.761989 0.347943 0.021810
C -3.220559 -1.126465 0.106258
C -4.219947 1.138478 0.022665
C 1.949983 -0.519177 -0.080891
C 3.075537 0.333814 0.202328
C -1.657134 2.252936 -0.515269
C -2.068210 -2.031750 -0.079463
C 1.317269 1.658387 0.428235
C -4.070018 2.545533 -0.197722
C -4.491146 -1.682438 0.335118
C -5.500001 0.542814 0.268981
C -2.811682 3.082377 -0.488985
C 2.136878 -1.878850 -0.397907
C 4.398409 -0.167854 0.147528
C -5.632770 -0.840467 0.435157
C 3.461642 -2.383785 -0.433064
C 4.566658 -1.550182 -0.164571
C 5.588037 0.697197 0.377199
H -0.696039 2.692328 -0.790673
H 0.742993 2.541349 0.712285
H -4.956258 3.188920 -0.163107
H -4.581840 -2.770345 0.415894
H -6.382050 1.191811 0.315841
H -2.705477 4.149893 -0.705446
H 1.282670 -2.529643 -0.597013
H -6.616714 -1.281560 0.621374
H 3.628902 -3.439792 -0.668959
H 5.582761 -1.951580 -0.195051
H 7.521667 0.546766 0.686383


