%chk=000057333.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057333

0 1
 O    1.889700      -3.397800     -0.1252000    
 N    3.530200       1.106700      0.1793000    
 C    1.388000       2.179100      9.9500000E-02
 C    1.223100      0.6729000      0.1149000    
 C    2.868000       2.348200      0.5235000    
 C    2.528700      0.1329000      0.1434000    
 C   5.2900001E-02 -0.1443000      5.9000000E-02
 C   0.3261000      -1.543700     -2.5900001E-02
 C    1.161000       2.763600      -1.295500    
 C   -1.351300      0.2724000      7.7699997E-02
 C    2.747600      -1.221800      4.6200000E-02
 C    1.640800      -2.053400     -3.4499999E-02
 C   -2.372200     -0.7152000     -1.9099999E-02
 C  -0.7139000      -2.469000     -0.1129000    
 C   -2.039500      -2.063100     -0.1159000    
 C   -1.822400       1.605600      0.1994000    
 C   -3.735100     -0.3695000     -1.4300000E-02
 C   -3.181400       1.942800      0.2055000    
 C   -4.140100      0.9535000      9.4999999E-02
 H   0.7707000       2.676300      0.8514000    
 H    3.352300       3.206800      4.6999998E-02
 H    2.929500       2.492400       1.610000    
 H    4.471100      0.8844000      0.4738000    
 H    1.311700       3.848300      -1.283300    
 H    1.854600       2.338200      -2.030200    
 H   0.1487000       2.570200      -1.661600    
 H    3.758400      -1.617600      3.4699999E-02
 H  -0.5249000      -3.538600     -0.1840000    
 H   -2.812700      -2.826000     -0.1887000    
 H   -1.143600       2.440600      0.2986000    
 H   -4.502400      -1.138200     -9.3000002E-02
 H   -3.479700       2.983100      0.2989000    
 H   -5.195500       1.206300      9.8899998E-02
 H    2.849500      -3.553500     -0.1160000    


%chk=000057333-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057333

0 1
O 1.839489 -3.494407 -0.150975
N 3.492978 1.156128 0.199413
C 1.364366 2.223883 0.122288
C 1.211207 0.688566 0.139203
C 2.845372 2.430481 0.579452
C 2.524655 0.146343 0.130345
C 0.076729 -0.179610 0.056157
C 0.333902 -1.610375 -0.036862
C 1.139301 2.799311 -1.304301
C -1.338470 0.246652 0.071422
C 2.787308 -1.242082 0.030058
C 1.682352 -2.096743 -0.052998
C -2.387343 -0.750061 -0.010777
C -0.743223 -2.562725 -0.114719
C -2.059735 -2.151608 -0.104233
C -1.758392 1.612085 0.170834
C -3.760689 -0.351716 0.005392
C -3.111272 1.982146 0.189155
C -4.129244 0.993619 0.103646
H 0.703320 2.733592 0.843951
H 3.315365 3.292337 0.072909
H 2.895962 2.593995 1.678414
H 4.454849 0.952738 0.468058
H 1.237593 3.901432 -1.306154
H 1.891129 2.381352 -1.997881
H 0.140808 2.539844 -1.695428
H 3.814628 -1.626477 0.016840
H -0.481901 -3.621790 -0.182803
H -2.876608 -2.879766 -0.163882
H -1.019517 2.407313 0.238792
H -4.528497 -1.132135 -0.060114
H -3.381283 3.041210 0.267917
H -5.185543 1.284096 0.115058
H 2.798304 -3.735031 -0.161576


