%chk=000030312.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030312

0 1
 O   -4.506300      0.6963000      -1.138100    
 O   0.1333000      -1.125100      0.9782000    
 O    4.665900      -1.107700     -0.4902000    
 O  -0.8290000       1.298200       1.607100    
 N   -2.560400     -0.9540000      0.1236000    
 C   -2.399800     -0.5004000      -1.264800    
 C   -3.987900      -1.056100      0.4580000    
 C   -1.885800      -2.233400      0.3329000    
 C   -3.121800      0.8295000      -1.461600    
 C   -4.673000      0.2865000      0.2198000    
 C  -0.3917000      -2.099100      8.5699998E-02
 C    1.232200     -0.4254000      0.5525000    
 C    1.185400      0.9592000      0.4279000    
 C    2.395600      -1.123900      0.2465000    
 C    2.314400       1.653000     -7.3000002E-03
 C    3.524600     -0.4300000     -0.1888000    
 C    3.484100      0.9585000     -0.3157000    
 C  -2.5699999E-02   1.703300      0.7451000    
 C  -0.3366000       3.006700      1.9500000E-02
 C    5.782500     -0.3359000     -0.9299000    
 H   -2.807400      -1.245000      -1.960900    
 H   -1.353500     -0.3217000      -1.525700    
 H   -4.113500      -1.336600       1.510000    
 H   -4.469000      -1.825600     -0.1597000    
 H   -2.300100      -3.021000     -0.3086000    
 H   -2.032900      -2.541800       1.375700    
 H   -3.053600       1.140000      -2.509200    
 H   -2.687000       1.625400     -0.8513000    
 H   -4.281800       1.064100      0.8873000    
 H   -5.747100      0.1961000      0.4106000    
 H  -0.1501000      -1.884200     -0.9614000    
 H   8.2300000E-02  -3.059500      0.3236000    
 H    2.438200      -2.205000      0.3506000    
 H    2.317200       2.734800     -0.1057000    
 H    4.324700       1.559400     -0.6458000    
 H  -0.1422000       2.900900      -1.051100    
 H   0.2615000       3.817600      0.4426000    
 H   -1.394400       3.252100      0.1498000    
 H    6.128400      0.3516000     -0.1505000    
 H    5.569700      0.1788000      -1.872900    
 H    6.601900      -1.035300      -1.125500    


%chk=000030312-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030312

0 1
O -5.256677 -0.238418 -1.524709
O -0.099113 -0.438054 0.327007
O 4.516037 -0.650728 -1.037499
O -1.024709 1.965394 1.220239
N -2.733869 -1.483041 -0.788905
C -3.918132 -2.301818 -1.153784
C -3.172785 -0.202262 -0.160965
C -1.736301 -2.218209 0.015999
C -4.812274 -1.505442 -2.121605
C -4.077884 0.563556 -1.132826
C -0.293676 -1.784313 -0.255721
C 1.153647 0.150915 0.232194
C 1.321019 1.463906 0.810788
C 2.248036 -0.506581 -0.372664
C 2.626597 2.022071 0.771071
C 3.522991 0.102844 -0.406147
C 3.726921 1.378664 0.176169
C 0.196817 2.252290 1.401586
C 0.546630 3.485821 2.246474
C 5.866311 -0.080435 -1.109486
H -4.522966 -2.587361 -0.255538
H -3.582706 -3.231858 -1.652889
H -2.294383 0.408962 0.102885
H -3.742973 -0.405364 0.781349
H -1.793470 -3.291580 -0.254030
H -1.934143 -2.146880 1.112921
H -5.734866 -2.061916 -2.359206
H -4.245543 -1.302902 -3.057055
H -3.501393 0.840975 -2.041485
H -4.485347 1.472099 -0.660538
H -0.112330 -1.742569 -1.347218
H 0.416730 -2.491736 0.222307
H 2.149479 -1.494665 -0.826626
H 2.786312 3.011608 1.209286
H 4.705035 1.865928 0.166583
H 0.936573 4.304897 1.612501
H 1.305063 3.262246 3.017690
H -0.376913 3.837646 2.731076
H 6.285856 0.083311 -0.098590
H 5.868697 0.870735 -1.675067
H 6.465000 -0.832433 -1.643272


