%chk=000038768.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038768

0 1
 O  -0.2854000      0.9242000      0.8258000    
 O    1.585800       2.151800      0.3553000    
 N   -3.128300      0.4221000      0.1642000    
 N    1.624700     -0.1872000      0.4406000    
 C   -1.160000       1.934800      0.3270000    
 C   -2.584800       1.632200      0.8026000    
 C   -1.074100       1.999400      -1.196200    
 C   -3.129200      0.5430000      -1.299300    
 C   -1.714400      0.7686000      -1.832500    
 C   -4.477700      0.1454000      0.6566000    
 C   -4.988400      -1.178200      8.9800000E-02
 C   -6.390700      -1.497500      0.6094000    
 C    1.046200       1.064700      0.5201000    
 C   -6.920500      -2.795900      2.2000000E-02
 C    2.970600     -0.5073000      0.1504000    
 C    3.886200     -0.6151000       1.187900    
 C    3.355900     -0.7097000      -1.167400    
 C    5.214100     -0.9319000      0.9014000    
 C    4.683800      -1.026500      -1.453700    
 C    3.489500     -0.4006000       2.612700    
 C    2.383900     -0.5986000      -2.297200    
 C    5.612800      -1.137600     -0.4194000    
 H  -0.8534000       2.896400      0.7578000    
 H   -2.562900       1.481400       1.889100    
 H   -3.229200       2.496600      0.5957000    
 H   -1.613100       2.891100      -1.541400    
 H  -4.8200000E-02   2.094600      -1.563700    
 H   -3.466000     -0.3726000      -1.791100    
 H   -3.785800       1.359200      -1.628000    
 H   -1.096400     -0.1160000      -1.633300    
 H   -1.746700      0.8946000      -2.920900    
 H   -4.460500      6.8599999E-02   1.751100    
 H   -5.168500      0.9587000      0.3985000    
 H   -4.301900      -1.992800      0.3525000    
 H   -5.071500      -1.153500      -1.000300    
 H   -6.372700      -1.577900       1.702600    
 H   -7.078400     -0.6825000      0.3551000    
 H   -6.270100      -3.637700      0.2806000    
 H   -6.987800      -2.735800      -1.068900    
 H   -7.920900      -3.007600      0.4122000    
 H    1.016700     -0.9861000      0.6024000    
 H    5.951500      -1.021700       1.694700    
 H    5.012000      -1.189300      -2.476900    
 H    2.662700      -1.064200       2.886900    
 H    3.187100      0.6395000       2.772000    
 H    4.314300     -0.6127000       3.301800    
 H    2.836200     -0.8824000      -3.253700    
 H    1.528000      -1.262700      -2.136900    
 H    2.028300      0.4323000      -2.394300    
 H    6.646900      -1.383900     -0.6424000    


%chk=000038768-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038768

0 1
O -0.283606 0.560109 0.278776
O 1.636540 1.922808 0.499386
N -3.281190 0.495155 0.030118
N 1.746383 -0.415811 0.120158
C -1.149006 1.774980 0.404953
C -2.490636 1.308065 0.982723
C -1.312831 2.452453 -0.968450
C -3.513185 1.220619 -1.242554
C -2.172957 1.586812 -1.912446
C -4.523509 -0.019806 0.656348
C -5.181771 -1.173777 -0.128084
C -6.384031 -1.784052 0.629141
C 1.106339 0.798187 0.316971
C -7.057423 -2.933728 -0.150923
C 3.165598 -0.623455 0.044576
C 4.022727 -0.225140 1.111840
C 3.673248 -1.293511 -1.109425
C 5.411480 -0.476738 0.976006
C 5.062588 -1.542685 -1.192522
C 3.487210 0.419148 2.373816
C 2.741983 -1.720695 -2.230808
C 5.933135 -1.127115 -0.161372
H -0.648037 2.461460 1.112654
H -2.303853 0.708706 1.891977
H -3.045455 2.234678 1.297166
H -1.808793 3.431269 -0.804242
H -0.316972 2.665296 -1.395802
H -4.102836 0.576407 -1.917414
H -4.111961 2.157722 -1.069993
H -1.633947 0.652535 -2.155062
H -2.364511 2.126624 -2.859109
H -4.253211 -0.395907 1.663263
H -5.277726 0.798508 0.812906
H -4.415163 -1.951395 -0.313113
H -5.528932 -0.823269 -1.120461
H -6.043423 -2.156973 1.616781
H -7.131129 -0.990325 0.836394
H -6.340034 -3.753265 -0.344434
H -7.434799 -2.581071 -1.129440
H -7.912099 -3.356547 0.408480
H 1.125596 -1.188103 -0.133491
H 6.083165 -0.170639 1.786558
H 5.461890 -2.052643 -2.077030
H 2.566284 -0.085610 2.720749
H 3.219587 1.475733 2.192508
H 4.235316 0.374901 3.183542
H 3.316839 -2.085645 -3.098314
H 2.062633 -2.541501 -1.922767
H 2.104952 -0.882156 -2.568344
H 7.009232 -1.316911 -0.240888


