%chk=000081229.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081229

0 1
 O   -4.070300       2.125900     -0.7888000    
 O   -1.486600      -3.618100     -0.1820000    
 N   -1.177600      4.1099999E-02  0.1483000    
 C  -0.5929000      0.8906000       1.180600    
 C   0.8701000      0.5115000       1.408000    
 C    1.735500      0.6566000      0.1522000    
 C    3.195500      0.2530000      0.3695000    
 C   -2.579300      0.3962000     -7.7200003E-02
 C   -1.063800      -1.370500      0.5185000    
 C    4.027500      0.4857000     -0.8927000    
 C   -2.697600       1.830500     -0.5671000    
 C   -1.633100      -2.259800     -0.5752000    
 C    5.472700      5.7200000E-02 -0.6940000    
 H   -1.140600      0.8121000       2.128400    
 H  -0.5867000       1.944700      0.8884000    
 H    1.268400       1.201700       2.165100    
 H   0.9890000     -0.4781000       1.860700    
 H    1.695100       1.699000     -0.1884000    
 H    1.330700      4.4300001E-02 -0.6621000    
 H    3.242700     -0.8043000      0.6567000    
 H    3.617300      0.8332000       1.199100    
 H   -3.190200      0.2528000      0.8242000    
 H   -3.044800     -0.2041000     -0.8635000    
 H   -1.563600      -1.581900       1.473400    
 H  -2.5100000E-02  -1.693800      0.6346000    
 H    4.000400       1.546800      -1.166500    
 H    3.599000     -7.7000000E-02  -1.730300    
 H   -2.154500       1.976100      -1.507000    
 H   -2.352500       2.564600      0.1638000    
 H   -1.101600      -2.120700      -1.522200    
 H   -2.702000      -2.127500     -0.7508000    
 H    6.049200      0.2329000      -1.607700    
 H    5.941300      0.6229000      0.1176000    
 H    5.536300      -1.008500     -0.4519000    
 H   -4.117300       3.039900      -1.117500    
 H   -1.986400      -3.742000      0.6430000    


%chk=000081229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081229

0 1
O -3.385721 2.327318 -1.346994
O -1.817321 -3.819691 -0.149510
N -1.336609 -0.122956 0.597300
C -0.559884 0.582178 1.649732
C 0.950929 0.257173 1.618896
C 1.658437 0.748311 0.337597
C 3.151306 0.355488 0.278403
C -2.524234 0.624903 0.121630
C -1.585844 -1.552831 0.874517
C 3.863957 0.855024 -0.999305
C -2.152206 1.595701 -1.007905
C -1.566974 -2.393854 -0.419447
C 5.353887 0.453413 -1.056296
H -0.968566 0.362394 2.667539
H -0.686984 1.670249 1.488786
H 1.424162 0.720097 2.509819
H 1.100146 -0.837139 1.723960
H 1.568377 1.853956 0.271176
H 1.123927 0.335458 -0.540616
H 3.241691 -0.749667 0.337866
H 3.678172 0.757582 1.169677
H -3.018612 1.200103 0.938093
H -3.277490 -0.083448 -0.268685
H -2.558367 -1.715302 1.408447
H -0.794202 -1.939196 1.540741
H 3.774847 1.959407 -1.057482
H 3.336555 0.453866 -1.888813
H -1.766403 1.020149 -1.874646
H -1.356581 2.292614 -0.667755
H -0.563957 -2.361080 -0.872315
H -2.297297 -1.995916 -1.156134
H 5.838938 0.821488 -1.979217
H 5.909442 0.868262 -0.193852
H 5.468302 -0.646767 -1.029673
H -3.204928 2.950977 -2.093522
H -2.716695 -3.915264 0.255185


