%chk=000004014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004014

0 1
 O    2.842800       2.686600     -2.9200001E-02
 O   -5.583700     -1.7400000E-02  3.3599999E-02
 O   -6.132200      -2.668600     -2.2299999E-02
 N   -1.326600       2.733900      3.0000001E-04
 N   -4.812600      -2.195600     -2.6600000E-02
 C   0.6490000       1.812800     -2.4999999E-03
 C    2.751200      0.3677000     -3.1999999E-03
 C   -1.517300       1.376900      9.3000000E-03
 C    2.120500       1.678300     -8.1000002E-03
 C  -0.2776000      0.7765000      7.6000001E-03
 C   1.6100001E-02   3.008700     -6.8999999E-03
 C    3.048200     -0.2677000      -1.208800    
 C    3.060200     -0.2532000       1.207000    
 C    3.963000      -2.145000      5.9000002E-03
 C    3.654100      -1.524100      -1.204200    
 C    3.666100      -1.509600       1.211600    
 C   -2.834100      0.8915000      1.7300000E-02
 C    4.612600      -3.487700      1.1800000E-02
 C   -3.232600     -0.4319000      3.5000001E-03
 C   -4.667200     -0.8321000      3.8000001E-03
 H  -9.3999997E-02 -0.2895000      1.3200000E-02
 H   0.3675000       4.031200     -1.4500000E-02
 H   -2.056800       3.433600     -1.0000000E-03
 H    2.812800      0.2071000      -2.157900    
 H    2.834100      0.2330000       2.152600    
 H    3.882400      -2.008000      -2.150200    
 H    3.903800      -1.982300       2.160900    
 H   -3.628400       1.637300      3.0999999E-02
 H    4.311100      -4.068100      0.8904000    
 H    4.325300      -4.070000     -0.8704000    
 H    5.701500      -3.378000      1.9900000E-02
 H   -2.487700      -1.222600     -1.3600000E-02
 H   -4.076600      -2.890000      3.4899998E-02
 H   -6.266900      -2.810100     -0.9748000    


%chk=000004014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004014

0 1
O 2.703712 2.607874 -0.910132
O -5.790946 -0.014605 0.430833
O -6.566870 -2.504791 0.205951
N -1.384176 2.676507 0.133245
N -5.178495 -2.178642 0.068230
C 0.607772 1.679390 -0.236931
C 2.778695 0.272092 -0.329932
C -1.655082 1.292420 0.023696
C 2.062375 1.578657 -0.512262
C -0.411236 0.664771 -0.202732
C -0.040960 2.920484 -0.031758
C 3.966592 0.046297 -1.077589
C 2.365450 -0.714924 0.603248
C 4.288571 -2.138380 0.011598
C 4.700167 -1.141945 -0.916801
C 3.115539 -1.898730 0.771714
C -3.005029 0.795112 0.143599
C 5.098346 -3.408995 0.192641
C -3.411915 -0.511750 0.040064
C -4.833533 -0.846731 0.191279
H -0.264060 -0.399945 -0.372783
H 0.394698 3.916114 -0.002933
H -2.095107 3.386072 0.310367
H 4.294077 0.824491 -1.775101
H 1.483586 -0.540821 1.228296
H 5.607323 -1.304880 -1.511557
H 2.792358 -2.642926 1.509478
H -3.803542 1.527396 0.337956
H 4.592635 -4.121495 0.866185
H 5.270399 -3.916781 -0.774487
H 6.093846 -3.188032 0.622639
H -2.698561 -1.322216 -0.155670
H -4.602767 -2.991765 -0.139041
H -6.945863 -1.575724 0.379093


