%chk=000018429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018429

1 1
 O    1.411900      -1.275500       1.063200    
 O   -2.925900      -1.199400       1.802700    
 N  -0.9660000      -1.749000     -0.3721000    
 N    2.381100     -0.3388000     -0.8616000    
 C   0.3775000      -1.616400      -1.074600    
 C   -1.417300     -0.3823000      0.1224000    
 C   -1.996100      -2.301100      -1.347000    
 C  -0.8283000      -2.696500      0.8110000    
 C    1.438000      -1.070100     -0.1457000    
 C   -2.751100     -0.4724000      0.8276000    
 C   -3.884700      0.3504000      0.3147000    
 C    3.522100      0.3273000     -0.3545000    
 C    3.415700       1.649800      4.9899999E-02
 C    4.727700     -0.3535000     -0.2712000    
 C   -3.604600       1.551100     -0.2975000    
 C   -5.167800     -0.1225000      0.4724000    
 C    4.540600       2.306600      0.5488000    
 C    5.852500      0.3035000      0.2277000    
 C    2.124700       2.398000     -3.3700000E-02
 C    4.859700      -1.778300     -0.7025000    
 C    5.758900       1.633600      0.6377000    
 C   -4.664600       2.320500     -0.7774000    
 C   -6.227700      0.6469000     -7.7000000E-03
 C   -5.976000       1.868300     -0.6326000    
 H   0.2275000     -0.9583000      -1.938400    
 H   0.6808000      -2.608800      -1.427100    
 H   -1.440700      0.2564000     -0.7629000    
 H  -0.6881000      2.6000001E-02  0.8287000    
 H   -1.623400      -3.256900      -1.728700    
 H   -2.948600      -2.457500     -0.8336000    
 H   -2.115000      -1.588000      -2.168300    
 H  -0.5498000      -2.159000       1.720600    
 H   -1.786900      -3.199400      0.9776000    
 H  -9.0899996E-02  -3.468000      0.5659000    
 H    2.365100     -0.4185000      -1.876200    
 H   -2.602000       1.953700     -0.3906000    
 H   -5.377300      -1.073900      0.9517000    
 H    4.485500       3.342300      0.8735000    
 H    6.809600     -0.2058000      0.3048000    
 H    1.389000       1.966800      0.6531000    
 H    2.246700       3.453200      0.2341000    
 H    1.727200       2.369300      -1.053800    
 H    4.543300      -1.896500      -1.744200    
 H    5.895500      -2.129300     -0.6389000    
 H    4.253000      -2.428300     -6.3699998E-02
 H    6.634600       2.144900       1.026500    
 H   -4.469800       3.276100      -1.255400    
 H   -7.249000      0.2946000      0.1041000    
 H   -6.801400       2.468200      -1.004600    


%chk=000018429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018429

1 1
O 0.722280 0.309540 0.270674
O -3.541896 -2.152604 0.371957
N -0.930737 -1.876360 -0.786006
N 2.576766 -0.531439 -0.892386
C 0.368812 -1.405689 -1.469886
C -1.869325 -0.660547 -0.619939
C -1.570681 -2.929603 -1.701855
C -0.602390 -2.516691 0.572174
C 1.238178 -0.466285 -0.593446
C -3.231010 -0.966256 0.041898
C -4.136847 0.186444 0.258306
C 3.620000 0.287223 -0.303458
C 3.568781 1.706242 -0.400226
C 4.708191 -0.398801 0.312193
C -3.766832 1.529453 -0.046769
C -5.429915 -0.078949 0.796703
C 4.636461 2.437832 0.177497
C 5.754845 0.374500 0.863051
C 2.444101 2.435289 -1.106213
C 4.743937 -1.915651 0.386248
C 5.716936 1.784861 0.804927
C -4.675317 2.580683 0.182365
C -6.333111 0.974972 1.022824
C -5.958200 2.306333 0.715495
H 0.072080 -0.881410 -2.396308
H 0.921124 -2.319205 -1.752551
H -2.032477 -0.243322 -1.630870
H -1.289077 0.074019 -0.030977
H -0.868019 -3.769773 -1.815605
H -2.501996 -3.270418 -1.231445
H -1.775950 -2.472247 -2.682607
H -0.207923 -1.739381 1.241194
H -1.529350 -2.945234 0.974600
H 0.150174 -3.304103 0.406529
H 2.895039 -1.286739 -1.508800
H -2.775710 1.770079 -0.447113
H -5.698433 -1.114576 1.028153
H 4.620215 3.531492 0.118292
H 6.597606 -0.131967 1.345606
H 1.536610 2.459850 -0.474949
H 2.735215 3.473996 -1.331981
H 2.172217 1.946105 -2.060680
H 4.856477 -2.384837 -0.613028
H 5.600279 -2.254376 0.990942
H 3.826059 -2.326364 0.847920
H 6.532491 2.371732 1.239499
H -4.388773 3.611698 -0.047277
H -7.324646 0.766943 1.436532
H -6.661062 3.127044 0.892998


