%chk=000172964.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172964

0 1
 O    2.295400     -0.7419000       1.560300    
 O    3.587400       1.602800       1.147300    
 O    3.619500      -2.839700      2.2200000E-02
 N   -2.629800      0.2907000      0.2374000    
 C   0.1821000      0.2758000      0.9622000    
 C  -0.4826000       1.477700      0.2690000    
 C   -1.604300      0.8900000     -0.6522000    
 C   0.5492000       2.396100     -0.4324000    
 C    1.516600      0.4875000       1.693900    
 C  -0.8677000     -0.4244000       1.852700    
 C   0.6865000     -0.6798000     -6.1000001E-02
 C   -1.032700     -7.3399998E-02  -1.749700    
 C   -2.138200     -0.8056000       1.075700    
 C    1.613600       2.828000      0.5850000    
 C   0.1257000     -0.9231000      -1.299900    
 C    2.356500       1.626200       1.119200    
 C   -3.857800     -8.0899999E-02 -0.4579000    
 C    1.856300      -1.271500      0.3699000    
 C   -4.949300     -0.4746000      0.5159000    
 C  -0.1038000       3.637700      -1.044300    
 C   -6.268700     -0.8779000     -3.4699999E-02
 C   -5.356400      -1.902100      0.5739000    
 C   0.7484000      -1.886900      -2.093100    
 C    2.478800      -2.235400     -0.3900000    
 C   0.9123000       4.487000      -1.780700    
 C    1.906300      -2.549400      -1.630900    
 C    4.856700      -2.232700     -0.3576000    
 H  -0.9665000       2.097200       1.040700    
 H   -2.102400       1.718100      -1.168100    
 H    1.046900       1.839600      -1.236800    
 H    1.369900      0.6960000       2.759900    
 H   -1.143100      0.2521000       2.673200    
 H  -0.4574000      -1.328500       2.321200    
 H  -0.6689000      0.5524000      -2.575800    
 H   -1.813300     -0.7126000      -2.172500    
 H   -1.951400      -1.704500      0.4751000    
 H   -2.880100      -1.089300       1.830600    
 H    1.172500       3.365600       1.431900    
 H    2.366900       3.477900      0.1301000    
 H   -4.227700      0.7858000      -1.019800    
 H   -3.691200     -0.8862000      -1.182200    
 H   -4.974600      0.1293000       1.414900    
 H  -0.6047000       4.238500     -0.2763000    
 H  -0.8677000       3.341900      -1.770100    
 H   -6.403200     -0.8990000      -1.109200    
 H   -7.156900     -0.6026000      0.5209000    
 H   -5.628600      -2.309700       1.540100    
 H   -4.886800      -2.616100     -9.1100000E-02
 H   0.3586000      -2.121900      -3.079900    
 H    1.566600       5.035200      -1.097000    
 H    1.529100       3.887000      -2.457400    
 H   0.3939000       5.239200      -2.385400    
 H    2.373900      -3.296400      -2.268600    
 H    5.672500      -2.830700      5.7399999E-02
 H    4.924700      -1.217300      4.5499999E-02
 H    4.953800      -2.213100      -1.447600    


%chk=000172964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172964

0 1
O 2.402664 -0.831660 1.342647
O 3.701835 1.538623 0.702775
O 3.781277 -2.938326 -0.560736
N -2.550627 0.186394 0.191461
C 0.289685 0.236394 0.797902
C -0.436796 1.465230 0.185026
C -1.580990 0.878930 -0.710269
C 0.536903 2.455402 -0.510557
C 1.652946 0.459084 1.526124
C -0.714942 -0.514931 1.722885
C 0.770824 -0.673494 -0.321453
C -1.045885 0.009823 -1.908650
C -1.972560 -0.951423 0.950005
C 1.642872 2.842010 0.527515
C 0.150390 -0.866605 -1.558613
C 2.466171 1.620976 0.910417
C -3.848933 -0.130094 -0.447788
C 1.965544 -1.303970 0.064032
C -4.972014 -0.331093 0.564794
C -0.186226 3.719085 -1.047446
C -6.293456 -0.962627 0.102497
C -5.366144 -1.737056 1.051211
C 0.764132 -1.814031 -2.423723
C 2.594479 -2.235961 -0.789975
C 0.722964 4.700374 -1.820162
C 1.944199 -2.485199 -2.035084
C 4.666080 -2.460895 0.523504
H -0.952339 2.017273 0.999696
H -2.144738 1.724012 -1.149427
H 1.034611 1.951783 -1.365895
H 1.548527 0.605135 2.616664
H -1.008362 0.164573 2.547660
H -0.227134 -1.403782 2.165557
H -0.758928 0.691649 -2.736897
H -1.881905 -0.600045 -2.305243
H -1.720611 -1.809788 0.279819
H -2.735523 -1.310762 1.661476
H 1.138879 3.255351 1.426894
H 2.332110 3.604943 0.130790
H -4.108934 0.723434 -1.105802
H -3.798568 -1.039039 -1.104096
H -5.042254 0.478180 1.300755
H -0.672222 4.245610 -0.199531
H -1.003281 3.400832 -1.724281
H -6.358090 -1.305013 -0.935944
H -7.229634 -0.561426 0.500640
H -5.676478 -1.861224 2.092939
H -4.817806 -2.590829 0.638771
H 0.337367 -2.017676 -3.412852
H 1.480670 5.169517 -1.167613
H 1.258205 4.183788 -2.639043
H 0.125647 5.514851 -2.268749
H 2.426911 -3.201169 -2.708234
H 5.571381 -3.080119 0.434814
H 4.194047 -2.605002 1.510401
H 4.908859 -1.391914 0.392291


