%chk=000087882.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087882

0 1
 O   0.7604000      -2.377400     -0.3710000    
 N   -4.483200      0.5120000      0.1991000    
 N   -1.254100      -1.288200     -0.1534000    
 N   0.8739000     -0.1745000      1.7800000E-02
 N    2.123700      -2.058500     -0.3318000    
 C   -3.580800     -0.6139000     -3.9200000E-02
 C   -5.876400      7.0500001E-02  0.1454000    
 C   -4.245400       1.573500     -0.7783000    
 C   -2.129800     -0.1602000      5.7100002E-02
 C   -6.148700      -1.030200       1.149700    
 C   -5.126600       2.777200     -0.5156000    
 C   0.1084000      -1.211400     -0.1565000    
 C    2.109000     -0.7428000     -9.8200001E-02
 C    3.309700      3.2699998E-02  2.5699999E-02
 C    4.555700     -0.5836000     -9.8099999E-02
 C    3.233800       1.404700      0.2697000    
 C    5.723300      0.1702000      2.2000000E-02
 C    4.401200       2.158600      0.3898000    
 C    5.645900       1.541300      0.2659000    
 H   -3.768800      -1.078600      -1.016800    
 H   -3.709600      -1.393300      0.7199000    
 H   -6.548900      0.8911000      0.4161000    
 H   -6.159100     -0.2700000     -0.8588000    
 H   -3.229600       1.968600     -0.6979000    
 H   -4.386900       1.224300      -1.808800    
 H   -1.931500      0.2868000       1.038900    
 H   -1.871600      0.5709000     -0.7131000    
 H   -5.745800      -1.997200      0.8331000    
 H   -5.753400     -0.7854000       2.141600    
 H   -7.230800      -1.167800       1.257900    
 H   -6.167100       2.606900     -0.8089000    
 H   -5.099400       3.079900      0.5369000    
 H   -4.773400       3.629200      -1.108000    
 H   -1.691600      -2.193100     -0.3069000    
 H    4.655600      -1.649400     -0.2882000    
 H    2.279200       1.915100      0.3712000    
 H    6.692700     -0.3100000     -7.4299999E-02
 H    4.341500       3.226400      0.5797000    
 H    6.554800       2.128400      0.3594000    


%chk=000087882-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087882

0 1
O 0.787383 -2.884560 0.790138
N -3.978454 0.411637 0.015753
N -1.412166 -2.117107 1.238399
N 0.388867 -0.635509 0.550256
N 2.075006 -2.251966 0.379141
C -3.096008 -0.773864 -0.079657
C -5.205508 0.320062 -0.818951
C -3.233913 1.690270 -0.166874
C -2.453704 -1.072316 1.299998
C -6.253413 -0.650562 -0.241941
C -3.885910 2.875210 0.570363
C -0.140633 -1.825734 0.861276
C 1.733802 -0.940434 0.268249
C 2.709984 0.088439 -0.126194
C 4.057723 -0.257000 -0.416104
C 2.296330 1.443153 -0.216420
C 4.975856 0.743908 -0.791582
C 3.220695 2.440534 -0.593020
C 4.561821 2.095270 -0.881694
H -2.282589 -0.636179 -0.830009
H -3.687919 -1.650269 -0.400638
H -5.652072 1.329889 -0.864915
H -4.963534 0.033862 -1.873831
H -2.209736 1.544277 0.224565
H -3.118605 1.934867 -1.252625
H -3.234972 -1.389327 2.011680
H -1.991373 -0.151890 1.695537
H -5.869577 -1.685744 -0.182776
H -6.542779 -0.335555 0.775699
H -7.157110 -0.667734 -0.879443
H -4.908515 3.078236 0.203448
H -3.950044 2.661688 1.651542
H -3.289896 3.795511 0.424609
H -1.647475 -3.093963 1.409915
H 4.370234 -1.303956 -0.344007
H 1.255009 1.690427 0.012120
H 6.013854 0.473383 -1.014287
H 2.896935 3.485030 -0.660791
H 5.278703 2.870816 -1.173831


