%chk=000160472.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160472

0 1
 O    1.341900      -2.278500      0.5823000    
 O  -0.5628000      -3.601100      0.1755000    
 O   -3.245700       1.924900     -0.9428000    
 O   -4.361800     -8.5600004E-02  0.6157000    
 N    1.789300       2.038800      0.1844000    
 C    1.978100      0.5674000      0.2980000    
 C    1.153700     -0.2540000     -0.7265000    
 C    1.626000      -1.727100     -0.7120000    
 C    3.450000      0.3452000      0.1033000    
 C    3.134900      -1.875000     -0.9758000    
 C    4.154600       1.610200      0.4396000    
 C  -0.3247000     -0.2203000     -0.3952000    
 C    3.129100       2.614800     -7.0500001E-02
 C    3.978800     -0.7421000     -0.4684000    
 C  -0.8917000      -1.246600      0.3820000    
 C  -6.1799999E-02  -2.432800      0.8224000    
 C    1.218200       2.596400       1.412800    
 C   -1.131200      0.8368000     -0.8407000    
 C   -2.252700      -1.184700      0.7167000    
 C   -2.483300      0.8849000     -0.5036000    
 C   -3.042400     -0.1224000      0.2783000    
 C   -3.320200       3.074400     -0.1019000    
 C   -5.276300     -0.7237000     -0.2735000    
 H    1.735400      0.2380000       1.319400    
 H    1.304600      0.1400000      -1.741700    
 H    1.092500      -2.321500      -1.466500    
 H    3.294200      -1.929400      -2.059900    
 H    3.503300      -2.811500     -0.5411000    
 H    4.293400       1.695300       1.522600    
 H    5.118800       1.721700     -6.4000003E-02
 H    3.271300       3.606900      0.3733000    
 H    3.241000       2.738400      -1.156000    
 H    5.049200     -0.7961000     -0.6439000    
 H  -0.1844000      -2.561800       1.904100    
 H    1.860400       2.433900       2.286000    
 H   0.2380000       2.153700       1.619900    
 H    1.056900       3.674100       1.299600    
 H  -0.7018000       1.629000      -1.449600    
 H   -2.698800      -1.974000       1.317700    
 H  -0.3865000      -4.352800      0.7664000    
 H   -3.757600       2.814900      0.8673000    
 H   -3.961800       3.814000     -0.5885000    
 H   -2.326400       3.511400      3.9200000E-02
 H   -5.235700     -0.2618000      -1.265100    
 H   -6.286000     -0.6016000      0.1279000    
 H   -5.055900      -1.793300     -0.3476000    


%chk=000160472-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160472

0 1
O 1.401727 -2.323100 0.733501
O -0.561184 -3.665263 0.322258
O -3.169271 1.987077 -0.944921
O -4.397318 -0.139869 0.643830
N 1.868360 2.007238 0.204052
C 2.107054 0.533530 0.290499
C 1.231530 -0.324631 -0.679863
C 1.708393 -1.793273 -0.634519
C 3.585890 0.346032 -0.036135
C 3.217015 -2.004509 -0.871131
C 4.287738 1.669493 0.209280
C -0.250541 -0.264509 -0.338928
C 3.161071 2.684545 -0.146622
C 4.083131 -0.797454 -0.563168
C -0.847707 -1.283137 0.451530
C -0.028991 -2.454030 0.967589
C 1.153372 2.587101 1.358328
C -1.050898 0.816838 -0.779170
C -2.227207 -1.225728 0.754164
C -2.419042 0.890692 -0.455357
C -3.022896 -0.158097 0.299655
C -3.751926 2.851817 0.106477
C -5.314235 -0.265113 -0.513344
H 1.902411 0.172631 1.323895
H 1.393271 0.075900 -1.699093
H 1.123364 -2.396339 -1.357964
H 3.379929 -2.298529 -1.928228
H 3.527625 -2.877929 -0.263318
H 4.568149 1.774380 1.277006
H 5.200253 1.798796 -0.397663
H 3.255563 3.636560 0.407073
H 3.190661 2.917256 -1.229235
H 5.149437 -0.871234 -0.818230
H -0.101371 -2.552557 2.069365
H 1.727792 2.537927 2.317746
H 0.200283 2.051444 1.507416
H 0.912409 3.646135 1.155435
H -0.601847 1.629360 -1.358708
H -2.709005 -2.027123 1.323315
H -0.090560 -4.447859 0.712990
H -4.397007 2.267586 0.787233
H -4.341874 3.610252 -0.430571
H -2.944468 3.343232 0.682859
H -5.140365 0.545161 -1.244474
H -6.329265 -0.195246 -0.093007
H -5.175350 -1.248052 -1.002242


