%chk=000016397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016397

0 1
 O   0.2411000      0.3657000     -0.7253000    
 O  -0.6436000      0.1854000       1.431400    
 O    1.057400      -2.276100     -0.5551000    
 O    1.915200       2.378600      0.1776000    
 N   -3.174700      0.1315000      0.2467000    
 C   -4.447500      0.4970000     -0.3741000    
 C   -3.019900      -1.322400      0.2776000    
 C   -2.060100      0.7491000     -0.4711000    
 C   -4.653200       2.002100     -0.3597000    
 C   -4.169900      -1.981300       1.020200    
 C  -0.7716000      0.4004000      0.2335000    
 C    1.491000      5.0500002E-02 -0.1868000    
 C    1.868900      -1.273400     -0.1169000    
 C    2.301800       1.074600      0.2538000    
 C    3.117300      -1.588300      0.4197000    
 C    3.550300      0.7594000      0.7903000    
 C    3.958000     -0.5720000      0.8733000    
 C    1.188900      -2.666300      -1.920500    
 C    2.250500       3.085400      -1.014900    
 H   -4.526100      0.1215000      -1.402100    
 H   -5.290300      8.8100001E-02  0.1920000    
 H   -2.958700      -1.742200     -0.7350000    
 H   -2.107800      -1.625400      0.8007000    
 H   -2.022600      0.4044000      -1.511800    
 H   -2.101600       1.842600     -0.4583000    
 H   -5.694100       2.232700     -0.6138000    
 H   -4.031700       2.516700      -1.098900    
 H   -4.457000       2.429500      0.6297000    
 H   -4.369000      -1.492200       1.979900    
 H   -5.092000      -2.006800      0.4313000    
 H   -3.914100      -3.025100       1.235800    
 H    3.441200      -2.623300      0.4885000    
 H    4.210200       1.545900       1.146400    
 H    4.929900     -0.8172000       1.291400    
 H   0.4706000      -3.466600      -2.118600    
 H   0.9672000      -1.825000      -2.584700    
 H    2.197500      -3.044300      -2.115800    
 H    1.868000       4.105900     -0.9272000    
 H    1.787700       2.611800      -1.886500    
 H    3.336800       3.128100      -1.142600    


%chk=000016397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016397

0 1
O 0.438350 0.214082 -0.758964
O -0.608626 -0.424752 1.253915
O 1.553573 -2.408499 -0.754285
O 1.923931 2.356456 0.511554
N -3.202157 -0.052870 -0.041188
C -4.355767 0.625098 -0.688214
C -3.470814 -1.473119 0.321383
C -1.951687 0.128473 -0.781573
C -4.316160 2.159615 -0.552813
C -4.369721 -1.607375 1.564109
C -0.703133 -0.073028 0.074393
C 1.727550 -0.014783 -0.186642
C 2.271051 -1.325316 -0.203750
C 2.441564 1.051310 0.417216
C 3.511366 -1.579593 0.419780
C 3.684021 0.788654 1.039552
C 4.204188 -0.523209 1.052174
C 1.323810 -2.340959 -2.214110
C 1.582585 3.026694 -0.761026
H -4.448236 0.340625 -1.768683
H -5.269760 0.255899 -0.191014
H -3.918303 -2.030237 -0.541119
H -2.501924 -1.949908 0.548886
H -1.845884 -0.549075 -1.670429
H -1.899798 1.156518 -1.183246
H -5.234597 2.604793 -0.978497
H -3.457289 2.609928 -1.084136
H -4.244186 2.442202 0.511417
H -3.896241 -1.095754 2.418813
H -5.372153 -1.168242 1.408606
H -4.509234 -2.673884 1.820991
H 3.900445 -2.601811 0.410196
H 4.209458 1.622070 1.514796
H 5.160949 -0.721392 1.546582
H 0.715838 -3.226715 -2.453145
H 0.783441 -1.418275 -2.493008
H 2.288328 -2.389393 -2.755268
H 1.162380 4.000485 -0.467635
H 0.841183 2.446124 -1.336946
H 2.495657 3.178163 -1.368569


