%chk=000097679.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097679

0 1
 O    4.432000      -1.931300       0.000000    
 O    5.967900     -8.0499999E-02 -1.6000000E-03
 O   -4.950500      -1.952300     -1.9999999E-04
 O   -5.911500      0.2560000     -8.9999998E-04
 N   0.1646000      -1.433800      1.0000000E-03
 C   0.4642000      0.9537000      6.0000003E-04
 C    1.891700      0.7802000      5.0000002E-04
 C  -0.3666000     -0.1968000      7.9999998E-04
 C   -1.772500     -4.9199998E-02  6.9999998E-04
 C    2.405500     -0.5333000      6.9999998E-04
 C   -2.363500       1.249100      1.9999999E-04
 C    3.786700     -0.7290000      1.9999999E-04
 C  -0.1557000       2.221900      5.0000002E-04
 C   -2.637100      -1.169600      6.0000003E-04
 C   -1.539900       2.368900      3.0000001E-04
 C    2.847300       1.845100     -9.9999997E-05
 C   -4.004400     -0.9740000      9.9999997E-05
 C    4.669200      0.3224000     -6.0000003E-04
 C   -3.761100       1.409000     -3.0000001E-04
 C   -4.551500      0.2814000     -3.0000001E-04
 C    1.503100      -1.584900      1.0000000E-03
 C    4.230200       1.623600     -6.9999998E-04
 C    5.810500      -1.512000     -7.9999998E-04
 C   -6.158600      -1.164800     -1.7000000E-03
 H   0.4304000       3.137200      3.9999999E-04
 H   -2.251100      -2.185400      8.9999998E-04
 H   -1.959100       3.372700      9.9999997E-05
 H    2.522200       2.882800     -3.0000001E-04
 H   -4.217800       2.394700     -6.0000003E-04
 H    1.832300      -2.620100      1.0000000E-03
 H    4.924000       2.456700     -1.2000001E-03
 H    6.301400      -1.920600     -0.8916000    
 H    6.302200      -1.919700      0.8900000    
 H   -6.742800      -1.419200     -0.8936000    
 H   -6.745300      -1.419800      0.8883000    


%chk=000097679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097679

0 1
O 4.511284 -1.964572 -0.000226
O 6.048122 -0.117791 -0.000388
O -5.031298 -1.978497 -0.000020
O -6.007769 0.212218 0.000013
N 0.148503 -1.466888 -0.000058
C 0.479995 1.002041 -0.000074
C 1.927954 0.816797 -0.000124
C -0.360473 -0.164080 -0.000072
C -1.808188 -0.029533 -0.000075
C 2.415250 -0.550814 -0.000103
C -2.395839 1.293272 -0.000042
C 3.814724 -0.732528 -0.000149
C -0.141619 2.297989 -0.000028
C -2.645442 -1.195736 -0.000108
C -1.523449 2.435866 -0.000011
C 2.867218 1.895261 -0.000221
C -4.014154 -0.994087 -0.000135
C 4.707539 0.341993 -0.000235
C -3.825378 1.456301 -0.000051
C -4.597061 0.308030 -0.000111
C 1.470189 -1.638972 -0.000046
C 4.259914 1.675833 -0.000283
C 5.956467 -1.602532 0.000036
C -6.319189 -1.241088 -0.000885
H 0.478495 3.199416 0.000009
H -2.186193 -2.185332 -0.000105
H -1.970813 3.436881 0.000036
H 2.509839 2.927934 -0.000265
H -4.275956 2.452310 -0.000008
H 1.839741 -2.670808 -0.000043
H 4.969898 2.506815 -0.000372
H 6.424326 -1.994862 -0.919736
H 6.423851 -1.994320 0.920294
H -6.876213 -1.488323 -0.921364
H -6.877873 -1.489090 0.918349


