%chk=000055346.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055346

0 1
 O  -0.6841000       1.501800      -1.159900    
 O   -1.718900       2.759300      0.4821000    
 N    2.127000      0.9107000      0.5833000    
 C   -1.190000      0.4941000      0.9021000    
 C   5.5199999E-02  0.2748000       1.710300    
 C   -1.217700      0.6864000       2.390000    
 C    1.192800       1.242400       1.660500    
 C   -1.915500     -0.6765000      0.3376000    
 C   -1.234400       1.716600      6.6200003E-02
 C   -3.263500     -0.8729000      0.6383000    
 C   -1.248200      -1.576100     -0.4938000    
 C    2.976200     -0.2107000      0.9672000    
 C    2.940000       2.078500      0.2389000    
 C   -3.943900      -1.968800      0.1074000    
 C   -1.928700      -2.671800      -1.024700    
 C    3.558900     -0.8843000     -0.2740000    
 C  -0.6835000       2.631200      -2.039000    
 C   -3.276500      -2.868100     -0.7241000    
 C    4.470700      -2.051200      0.1071000    
 C  -4.2800002E-02   2.234000      -3.351800    
 C    5.026800      -2.749300      -1.123700    
 H   0.3710000     -0.7396000       1.925600    
 H   -1.700100     -5.4400001E-02   3.019100    
 H   -1.279600       1.687800       2.801300    
 H   0.8097000       2.262400       1.531300    
 H    1.705700       1.250500       2.632100    
 H   -3.798600     -0.1775000       1.279800    
 H  -0.1985000      -1.435000     -0.7384000    
 H    2.414300     -0.9812000       1.506200    
 H    3.777500      0.1082000       1.647200    
 H    3.601100       1.882200     -0.6102000    
 H    3.551100       2.420800       1.082300    
 H    2.297800       2.910200     -7.4000001E-02
 H    2.743600      -1.250000     -0.9115000    
 H    4.141800     -0.1771000     -0.8739000    
 H   -4.993800      -2.121000      0.3400000    
 H   -1.409200      -3.371700      -1.672600    
 H  -0.1148000       3.448600      -1.581700    
 H   -1.714500       2.958300      -2.213600    
 H   -3.806400      -3.721000      -1.137900    
 H    5.302200      -1.688600      0.7225000    
 H    3.914000      -2.778700      0.7094000    
 H   0.9832000       1.887300      -3.189400    
 H  -0.5895000       1.404000      -3.811500    
 H  -2.5500000E-02   3.075800      -4.049400    
 H    4.220200      -3.152300      -1.744200    
 H    5.675100      -3.580000     -0.8277000    
 H    5.617500      -2.058300      -1.733600    


%chk=000055346-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055346

0 1
O -0.937708 1.428873 -1.338279
O -0.582674 2.964543 0.370816
N 2.213877 1.042992 0.977206
C -1.051805 0.615365 0.922214
C 0.022927 0.436804 2.043819
C -1.351427 0.993834 2.392114
C 1.271333 1.308046 2.097691
C -1.667704 -0.632620 0.336092
C -0.831177 1.786211 0.001303
C -3.059095 -0.874021 0.447216
C -0.861446 -1.576783 -0.348588
C 2.905283 -0.265363 1.097271
C 3.146555 2.172992 0.776493
C -3.635882 -2.037222 -0.111877
C -1.433341 -2.739512 -0.907887
C 3.515315 -0.765504 -0.229310
C -0.675985 2.520712 -2.323754
C -2.824223 -2.974329 -0.791341
C 4.111563 -2.186713 -0.103105
C -0.860794 1.909855 -3.709143
C 4.728397 -2.694959 -1.423991
H 0.170811 -0.618559 2.303544
H -2.050225 0.355060 2.940155
H -1.420559 2.065395 2.603483
H 0.971974 2.367941 2.035478
H 1.756921 1.156979 3.096674
H -3.689936 -0.146825 0.972485
H 0.213096 -1.384030 -0.449266
H 2.163116 -1.013414 1.434674
H 3.705490 -0.232857 1.884366
H 3.758671 2.007581 -0.126320
H 3.843435 2.329170 1.639590
H 2.565711 3.099867 0.627309
H 2.723991 -0.753577 -1.005173
H 4.309488 -0.075153 -0.576634
H -4.713999 -2.211592 -0.018824
H -0.799644 -3.461048 -1.436493
H 0.350428 2.895583 -2.156731
H -1.381074 3.348344 -2.125414
H -3.269144 -3.877680 -1.224090
H 4.884286 -2.192236 0.692915
H 3.318766 -2.888476 0.228841
H -0.157994 1.073811 -3.865652
H -1.887675 1.526778 -3.835937
H -0.673725 2.674973 -4.484928
H 3.970256 -2.724358 -2.229220
H 5.143272 -3.713579 -1.312133
H 5.547474 -2.031503 -1.760460


