%chk=000017451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017451

0 1
 O    2.990300      0.6935000     -6.0000003E-04
 O    1.887300      -1.310000      6.0000003E-04
 N   0.7376000      0.7343000     -9.9999997E-05
 C  -0.6078000      0.3649000      1.9999999E-04
 C   -1.600100       1.345300      3.0000001E-04
 C  -0.9608000     -0.9847000     -9.9999997E-05
 C   -2.945300      0.9763000      1.9999999E-04
 C   -2.306100      -1.353600     -3.0000001E-04
 C   -3.298200     -0.3731000     -1.9999999E-04
 C    1.863700     -8.5199997E-02 -1.9999999E-04
 C    4.239300     -7.6000001E-03  9.9999997E-05
 H   -1.339500       2.400700      5.0000002E-04
 H  -0.2492000      -1.798800     -5.0000002E-04
 H   0.9227000       1.734600     -3.0000001E-04
 H   -3.717900       1.739600      3.0000001E-04
 H   -2.582400      -2.404100     -6.9999998E-04
 H   -4.345500     -0.6604000     -3.0000001E-04
 H    4.327600     -0.6222000      0.9010000    
 H    5.043900      0.7325000     -1.9999999E-04
 H    4.328000     -0.6234000     -0.8999000    


%chk=000017451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017451

0 1
O 3.010654 0.740442 0.000512
O 1.939608 -1.357704 0.000658
N 0.754297 0.704529 0.001071
C -0.609308 0.299549 0.000448
C -1.591850 1.327523 0.000080
C -1.012382 -1.062536 0.000252
C -2.962271 0.998655 -0.000486
C -2.389731 -1.372442 -0.000313
C -3.372443 -0.355615 -0.000687
C 1.879955 -0.102340 0.001544
C 4.305082 0.035716 -0.000523
H -1.281059 2.380777 0.000243
H -0.253649 -1.848302 0.000603
H 0.947506 1.708508 0.001062
H -3.707845 1.801945 -0.000768
H -2.693805 -2.425646 -0.000443
H -4.437261 -0.611700 -0.001137
H 4.401427 -0.598601 0.897786
H 5.060696 0.834535 -0.001180
H 4.399981 -0.598693 -0.898921


