%chk=000118014.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118014

0 1
 O   6.1799999E-02  0.3918000      -1.118800    
 O  -0.5632000      -2.584500      0.5394000    
 N    2.188500      0.9772000     -0.5094000    
 N    1.129900      -1.029400      0.2665000    
 C  -0.8582000     -0.6875000     -0.9311000    
 C    1.178100      7.1599998E-02 -0.4054000    
 C   -2.134800     -0.1616000     -0.3666000    
 C    3.335500      0.9208000      0.3776000    
 C  -0.1130000      -1.562000      3.9900001E-02
 C    2.042200       2.166900      -1.327300    
 C    2.891900       1.104700       1.826500    
 C   -3.317500     -0.8838000     -0.5257000    
 C   -2.145900       1.052700      0.3199000    
 C   -4.511400     -0.3918000      2.0999999E-03
 C   -3.339800       1.544500      0.8478000    
 C   -4.522500      0.8223000      0.6890000    
 C    4.046900     -0.3561000      0.2073000    
 C    4.631200      -1.395900      6.8400003E-02
 H  -0.9937000      -1.196800      -1.890400    
 H    4.041000       1.728000      0.1435000    
 H    3.002400       2.663300      -1.504300    
 H    1.375200       2.884400     -0.8381000    
 H    1.634200       1.922100      -2.314200    
 H    3.763900       1.170900       2.487800    
 H    2.277300      0.2779000       2.197300    
 H    2.314100       2.028400       1.943400    
 H   -3.320600      -1.831200      -1.058000    
 H   -1.243600       1.637100      0.4747000    
 H   -5.432200     -0.9543000     -0.1212000    
 H   -3.348400       2.488300       1.385200    
 H   -5.451900       1.204800       1.100700    
 H    5.148600      -2.318500     -5.4699998E-02


%chk=000118014-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118014

0 1
O 0.062298 0.497445 -1.104586
O -0.626661 -2.601828 0.607486
N 2.162943 1.105980 -0.237864
N 1.056309 -0.905970 0.499191
C -0.916178 -0.604756 -0.877782
C 1.144732 0.210577 -0.230805
C -2.259086 -0.078707 -0.400378
C 3.407448 0.864039 0.571279
C -0.172333 -1.520337 0.171237
C 2.189028 2.242381 -1.181678
C 3.125445 0.690831 2.084095
C -3.289085 -1.012694 -0.118060
C -2.505290 1.305534 -0.239109
C -4.551228 -0.560228 0.323029
C -3.771644 1.752896 0.202476
C -4.798511 0.823590 0.483099
C 4.206700 -0.250283 0.009608
C 4.910503 -1.146587 -0.457744
H -1.009502 -1.151774 -1.833205
H 3.996853 1.793294 0.440690
H 3.024300 2.124706 -1.897107
H 2.319217 3.190593 -0.629322
H 1.244996 2.280172 -1.742145
H 4.084630 0.618291 2.624985
H 2.538160 -0.222180 2.259351
H 2.567471 1.564651 2.464872
H -3.089956 -2.085194 -0.217059
H -1.711466 2.023894 -0.464380
H -5.339296 -1.288185 0.545229
H -3.955374 2.826531 0.323429
H -5.779912 1.172195 0.823558
H 5.500491 -1.954578 -0.850587


