%chk=000004887.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004887

0 1
 O    3.121300      -3.023100     -0.5820000    
 O   -3.819400       1.065900     -4.0800001E-02
 O   -7.704000       2.208000      0.3892000    
 O   -3.072900      -3.909800      0.1661000    
 N   -3.043000      -1.563900      1.9200001E-02
 N   -3.102800       4.624500     -0.3466000    
 N   -1.810500       2.765800     -0.3999000    
 N   -1.798000       4.871500     -0.5290000    
 N  -0.9946000       3.799500     -0.5668000    
 C    6.003200     -0.6455000     -0.1359000    
 C    5.214400      -1.952800     -0.1025000    
 C    7.401000     -0.8255000      0.4604000    
 C    3.807400      -1.774200     -0.6546000    
 C    8.201000      0.4506000      0.4000000    
 C   -4.794300      0.1188000      0.1431000    
 C    8.994200      0.7246000     -0.7143000    
 C    8.148500       1.357400       1.458500    
 C   -4.387700      -1.215500      0.1721000    
 C   -6.141200      0.4392000      0.2973000    
 C    1.769000      -2.979400     -0.4341000    
 C   -1.003100      -2.891800     -0.1346000    
 C   -5.332800      -2.225200      0.3560000    
 C   -7.091100     -0.5684000      0.4815000    
 C    9.734900       1.905200     -0.7699000    
 C    8.889100       2.538200       1.402800    
 C   -6.540500       1.853100      0.2618000    
 C    1.108100      -4.003700      0.2439000    
 C    1.044000      -1.911300     -0.9623000    
 C   -2.480400      -2.845600      2.4499999E-02
 C  -0.2779000      -3.959900      0.3936000    
 C  -0.3421000      -1.867500     -0.8126000    
 C   -6.681600      -1.902000      0.5103000    
 C   -4.185500       2.407100     -7.4199997E-02
 C    9.682200       2.812000      0.2886000    
 C   -5.453300       2.831800      6.2500000E-02
 C   -3.061600       3.291800     -0.2714000    
 H    5.459900      0.1279000      0.4218000    
 H    6.080200     -0.2920000      -1.171900    
 H    5.736500      -2.727000     -0.6784000    
 H    5.153900      -2.332800      0.9252000    
 H    7.326800      -1.162700       1.502200    
 H    7.939900      -1.618900     -7.3200002E-02
 H    3.305000      -1.004100     -5.4900002E-02
 H    3.851400      -1.451400      -1.701100    
 H    9.042000      2.6699999E-02  -1.546000    
 H    7.532900       1.156100       2.331100    
 H   -2.423500     -0.7629000     -6.3400000E-02
 H   -5.108800      -3.281200      0.3917000    
 H   -8.145200     -0.3358000      0.6032000    
 H    10.35220       2.118800      -1.637700    
 H    8.847800       3.244600       2.226800    
 H    1.668000      -4.837600      0.6583000    
 H    1.516000      -1.112900      -1.527400    
 H  -0.7727000      -4.765500      0.9296000    
 H  -0.8687000      -1.039500      -1.277700    
 H   -7.416000      -2.689800      0.6532000    
 H    10.25870       3.731500      0.2451000    
 H   -5.729400       3.880100      3.4699999E-02
 H   -1.439300       5.814800     -0.6317000    


%chk=000004887-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004887

0 1
O 3.115361 -2.676969 0.150470
O -4.172253 0.900888 -0.122596
O -8.170470 2.109975 -0.171948
O -3.193954 -3.910927 0.224860
N -3.335449 -1.582844 0.050479
N -3.388372 4.463404 -0.387390
N -2.021003 2.608272 -0.259351
N -2.060824 4.772374 -0.420075
N -1.200625 3.681697 -0.345239
C 6.287726 -0.560494 0.069461
C 5.372383 -1.804326 0.129867
C 7.795221 -0.933080 0.136489
C 3.892632 -1.421384 0.075158
C 8.696303 0.292363 0.084748
C -5.199125 -0.064961 -0.045490
C 9.192629 0.780031 -1.151825
C 9.023875 1.002324 1.269225
C -4.732744 -1.408214 0.046427
C -6.566440 0.287883 -0.058513
C 1.721972 -2.591810 0.136345
C -1.122501 -2.644019 0.129897
C -5.709778 -2.429820 0.125447
C -7.523990 -0.756816 0.022954
C 9.990720 1.945363 -1.206117
C 9.821364 2.167846 1.221238
C -6.957406 1.722209 -0.155797
C 1.031751 -3.829499 0.223396
C 0.990586 -1.379079 0.043543
C -2.616897 -2.781212 0.139613
C -0.368596 -3.848107 0.219809
C -0.418816 -1.413090 0.041162
C -7.088709 -2.090823 0.112633
C -4.523129 2.244734 -0.214436
C 10.307145 2.644916 -0.018545
C -5.830071 2.668325 -0.232627
C -3.336858 3.095977 -0.285965
H 6.050005 0.126295 0.906828
H 6.098561 0.006668 -0.864256
H 5.599978 -2.485417 -0.712421
H 5.562078 -2.370287 1.062119
H 7.975849 -1.501391 1.070179
H 8.029118 -1.614779 -0.704547
H 3.618840 -0.766839 0.928520
H 3.650939 -0.894240 -0.870990
H 8.957061 0.238598 -2.076966
H 8.657092 0.633900 2.235943
H -2.804647 -0.710932 -0.016719
H -5.376463 -3.466497 0.196065
H -8.583834 -0.485931 0.012973
H 10.369234 2.303856 -2.170300
H 10.068214 2.699686 2.147318
H 1.615688 -4.751860 0.293492
H 1.499402 -0.414000 -0.026973
H -0.920549 -4.790889 0.287435
H -0.933071 -0.446233 -0.032371
H -7.825392 -2.898365 0.175029
H 10.929033 3.546291 -0.057898
H -6.050503 3.736085 -0.306229
H -1.720694 5.731473 -0.494136


