%chk=000077851.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077851

1 1
 O  -0.3277000      -3.070900     -1.9999999E-04
 O    1.567600      -1.963300     -1.2000001E-03
 O   -4.566700       1.460700     -7.9999998E-04
 O   -4.525300     -0.7342000     -9.9999997E-05
 N    1.673900      0.5080000       0.000000    
 N   0.3143000      -1.993900     -3.9999999E-04
 N   -3.938100      0.3747000      9.9999997E-05
 C   0.2707000      0.4551000     -3.9999999E-04
 C  -0.4033000     -0.7661000       0.000000    
 C  -0.4497000       1.649500       0.000000    
 C   -1.798000     -0.7930000      6.0000003E-04
 C   -2.518400      0.4015000      8.9999998E-04
 C   -1.844200       1.622700      6.0000003E-04
 C    2.337900      0.5324000       1.174100    
 C    2.337900      0.5337000      -1.174000    
 C    3.724200      0.5846000       1.204600    
 C    3.724300      0.5866000      -1.204200    
 C    4.420600      0.6118000      3.0000001E-04
 H   6.6399999E-02   2.606100     -9.9999997E-05
 H   -2.326500      -1.743500      6.9999998E-04
 H   -2.372300       2.572800      6.0000003E-04
 H    1.744800      0.5102000       2.082100    
 H    1.745000      0.5125000      -2.082200    
 H    4.255300      0.6039000       2.150300    
 H    4.255500      0.6073000      -2.149700    
 H    5.505800      0.6526000      3.9999999E-04


%chk=000077851-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077851

1 1
O -0.476677 -3.177439 -0.000408
O 1.547805 -2.128818 -0.001092
O -4.628367 1.532333 0.000107
O -4.605822 -0.756668 -0.000035
N 1.728184 0.524563 0.000158
N 0.255802 -2.129885 -0.000305
N -4.035183 0.392980 0.000168
C 0.259691 0.439554 0.000114
C -0.440554 -0.798772 -0.000050
C -0.455583 1.654500 0.000286
C -1.848306 -0.816340 -0.000019
C -2.532167 0.411022 0.000148
C -1.866419 1.650987 0.000289
C 2.399725 0.558496 1.202294
C 2.399709 0.559735 -1.201950
C 3.798179 0.632043 1.221908
C 3.798166 0.633294 -1.221505
C 4.511337 0.664852 0.000213
H 0.091459 2.602702 0.000448
H -2.393716 -1.765445 -0.000139
H -2.446089 2.578242 0.000405
H 1.789948 0.516726 2.106643
H 1.789919 0.518882 -2.106332
H 4.314483 0.654723 2.184266
H 4.314459 0.656947 -2.183846
H 5.604016 0.712585 0.000231


