%chk=000176964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176964

0 1
 O   -5.876300     -0.5997000      3.0000001E-04
 O   -4.499100      -2.309300      3.9999999E-04
 N  -0.2496000       2.203700     -1.9999999E-04
 N    4.694200      -1.878300     -9.9999997E-05
 N   -4.714800      -1.073600      3.9999999E-04
 C   0.2092000      2.3000000E-02   0.000000    
 C   0.7809000       1.293100       0.000000    
 C   -1.211800      0.1931000       0.000000    
 C    1.062200      -1.100300       0.000000    
 C    2.165600       1.503100      1.9999999E-04
 C   -1.466800       1.564400     -3.0000001E-04
 C    2.458600     -0.9173000       0.000000    
 C    3.009800      0.3792000      3.0000001E-04
 C   -2.306900     -0.6965000      3.0000001E-04
 C   0.4945000      -2.489500     -1.3000000E-03
 C    2.715500       2.895900      9.9999997E-05
 C   -2.762400       2.094000     -5.0000002E-04
 C    4.402000      0.5208000      3.9999999E-04
 C   -3.608400     -0.1822000      9.9999997E-05
 C    3.347200      -1.994100     -9.9999997E-05
 C   -3.830400       1.192900     -3.0000001E-04
 C    5.186500     -0.6223000      3.0000001E-04
 H  -0.1399000       3.207800     -3.0000001E-04
 H   -2.142000      -1.766600     -2.3100000E-02
 H   0.2045000      -2.779200      -1.015700    
 H    1.152200      -3.256600      0.4095000    
 H  -0.3752000      -2.545800      0.6572000    
 H   -2.935300       3.165000     -6.9999998E-04
 H    3.326000       3.065400      0.8936000    
 H    3.325800       3.065200     -0.8936000    
 H    1.937300       3.663800      9.9999997E-05
 H    4.897500       1.485900      5.0000002E-04
 H    3.041100      -3.032500     -2.6300000E-02
 H   -4.835000       1.610400     -5.0000002E-04
 H    6.269400     -0.5511000      3.0000001E-04


%chk=000176964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176964

0 1
O -5.965188 -0.581520 -0.013329
O -4.545934 -2.369397 -0.002694
N -0.250743 2.237506 -0.010727
N 4.769616 -1.900005 0.018906
N -4.776436 -1.094653 -0.008693
C 0.233405 -0.024111 -0.000073
C 0.809999 1.307539 -0.003549
C -1.223988 0.150404 -0.005155
C 1.055963 -1.164591 0.006152
C 2.184051 1.563230 0.000818
C -1.475311 1.572241 -0.011782
C 2.483248 -0.945963 0.009261
C 3.036127 0.406296 0.007325
C -2.321189 -0.732172 -0.004090
C 0.425701 -2.544001 0.008991
C 2.753249 2.969028 -0.001486
C -2.779891 2.113548 -0.018171
C 4.467363 0.527934 0.011891
C -3.622079 -0.178015 -0.010038
C 3.429540 -2.033177 0.014310
C -3.864701 1.221131 -0.017189
C 5.272416 -0.608950 0.018096
H -0.139235 3.248612 -0.015788
H -2.216140 -1.817718 0.001857
H -0.218611 -2.682073 -0.879855
H 1.159845 -3.361451 0.009999
H -0.217334 -2.679325 0.899369
H -2.949485 3.194735 -0.023510
H 3.388247 3.150001 0.885803
H 3.380616 3.150512 -0.894203
H 1.967220 3.743474 0.002728
H 4.936301 1.516087 0.010252
H 3.072868 -3.067889 0.014838
H -4.898227 1.576076 -0.021696
H 6.364814 -0.531545 0.022435


