%chk=000155083.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155083

0 1
 O   -1.934300     -0.3610000       1.602900    
 O   -4.616500       2.104500       1.753300    
 O   -2.001200      -2.907900      0.7641000    
 O    4.209400       1.564400      0.6839000    
 N   -3.799300       1.286200     -0.8960000    
 N    3.338400     -0.4357000     -0.1840000    
 C   -4.023800      0.8223000       1.527800    
 C   -4.361200      0.3846000      0.1006000    
 C   -4.086800      0.8163000      -2.244400    
 C   -2.522700      0.9245000       1.789100    
 C   -3.121400     -0.3000000      -2.632800    
 C   -3.993700       1.985300      -3.220100    
 C  -0.6461000     -0.3934000       1.158900    
 C  -0.1843000      -1.454000      0.3793000    
 C    1.997400     -0.4219000      0.2681000    
 C    1.137500      -1.468100     -6.6100001E-02
 C   0.2137000      0.6529000       1.493000    
 C    1.535400      0.6386000       1.047600    
 C    5.631500      0.1160000     -0.6174000    
 C    6.768700       1.112700     -0.4052000    
 C   -1.065800      -2.556100      1.9800000E-02
 C    4.323800      0.5187000      5.3500000E-02
 C    8.059100      0.6801000      -1.087100    
 C  -0.8577000      -3.308800      -1.288700    
 H   -4.470500      0.1114000       2.233000    
 H   -5.453300      0.3643000     -8.2000000E-03
 H   -3.998900     -0.6390000     -3.8800001E-02
 H   -5.114600      0.4358000      -2.309500    
 H   -4.194800       2.215500     -0.7542000    
 H   -2.354700       1.251300       2.822800    
 H   -2.098700       1.690600       1.126700    
 H   -2.077700      2.0099999E-02  -2.534200    
 H   -3.259700      -1.196600      -2.021400    
 H   -3.278400     -0.5969000      -3.675800    
 H   -2.991400       2.428600      -3.221700    
 H   -4.712100       2.772400      -2.964800    
 H   -4.215200       1.655800      -4.241100    
 H   -5.575700       2.010900       1.623800    
 H    1.517600      -2.293900     -0.6627000    
 H  -9.2699997E-02   1.480600       2.125800    
 H    2.142600       1.478200       1.354900    
 H    5.439800      1.1000000E-03  -1.691500    
 H    5.925400     -0.8651000     -0.2245000    
 H    3.596200      -1.245800     -0.7437000    
 H    6.954300       1.237300      0.6684000    
 H    6.473000       2.096800     -0.7883000    
 H    8.402400     -0.2836000     -0.6979000    
 H    8.847200       1.419000     -0.9116000    
 H    7.916400      0.5839000      -2.168100    
 H  -0.1641000      -4.137800      -1.129100    
 H  -0.4811000      -2.639200      -2.066700    
 H   -1.820700      -3.699400      -1.631500    


%chk=000155083-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155083

0 1
O -1.869581 -0.162320 0.999826
O -4.674402 1.935886 2.031483
O -2.090882 -2.410034 -0.550840
O 4.436707 1.798940 0.207915
N -4.479861 1.303041 -0.816256
N 3.607453 -0.310592 -0.402146
C -4.016286 0.702182 1.541351
C -4.594348 0.237840 0.193138
C -4.846443 0.929710 -2.206522
C -2.535025 1.080019 1.433377
C -3.739610 0.062813 -2.848863
C -5.079283 2.218300 -3.021468
C -0.539618 -0.122806 0.617582
C 0.005797 -1.302689 0.005638
C 2.229684 -0.199249 -0.048475
C 1.393308 -1.313412 -0.290266
C 0.299030 0.996347 0.853081
C 1.665465 0.972002 0.523849
C 5.985130 0.194655 -0.817090
C 7.138459 0.581738 0.140462
C -0.838835 -2.484425 -0.376808
C 4.619387 0.644226 -0.283714
C 8.525656 0.308172 -0.475670
C -0.134528 -3.828697 -0.602540
H -4.129655 -0.118742 2.280299
H -5.651212 -0.104268 0.356373
H -4.009094 -0.642651 -0.127455
H -5.798179 0.336782 -2.218908
H -4.959546 2.157730 -0.501887
H -2.144791 1.413865 2.413889
H -2.409735 1.867209 0.667668
H -2.805544 0.649224 -2.924189
H -3.521191 -0.840554 -2.252641
H -4.042490 -0.259591 -3.863092
H -4.164458 2.839627 -3.017504
H -5.908744 2.819427 -2.600475
H -5.331877 1.976967 -4.069154
H -5.598296 1.711085 2.307857
H 1.824600 -2.210352 -0.750442
H -0.113632 1.899597 1.310500
H 2.305288 1.837076 0.707375
H 6.146786 0.705265 -1.788353
H 6.004876 -0.894971 -1.020827
H 3.886658 -1.207936 -0.804928
H 7.029465 0.024281 1.091235
H 7.030058 1.652901 0.389396
H 8.656298 -0.762233 -0.724571
H 9.332383 0.590680 0.224586
H 8.668177 0.890136 -1.405923
H 0.584094 -4.063447 0.202366
H 0.416426 -3.827466 -1.563050
H -0.903341 -4.614790 -0.654989


