%chk=000177088.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177088

0 1
 O    5.494200     -0.9860000      0.4098000    
 O    3.566700      -2.913900     -0.1191000    
 O   -6.233400     -0.5182000     -0.2824000    
 N  -0.1931000       1.943600     -0.5004000    
 C   4.3400001E-02  0.5047000     -0.2476000    
 C    1.505300      0.1217000     -8.4200002E-02
 C   0.6174000       2.794000      0.3801000    
 C    2.123400       2.554700      0.2509000    
 C    2.483200       1.093500      0.1934000    
 C  -0.7664000      6.6399999E-02  0.9833000    
 C  -2.0199999E-02   2.288900      -1.911700    
 C    1.889100      -1.225100     -0.1858000    
 C    3.821500      0.7067000      0.3532000    
 C   -2.218800     -8.8799998E-02  0.6472000    
 C    3.221800      -1.600200     -1.6700000E-02
 C    4.187300     -0.6348000      0.2531000    
 C   -3.077600      0.9975000      0.7796000    
 C   -2.696900      -1.318100      0.2054000    
 C   -4.429200      0.8529000      0.4670000    
 C   -4.048600      -1.462700     -0.1073000    
 C   -4.914700     -0.3773000      2.3600001E-02
 C    6.308000     -0.9963000     -0.7619000    
 C   -6.662400      -1.803300     -0.7298000    
 H  -0.3290000     -5.7599999E-02  -1.116900    
 H   0.3176000       2.632200       1.422400    
 H   0.3976000       3.852200      0.1897000    
 H    2.627700       3.025600       1.103400    
 H    2.498400       3.036800     -0.6603000    
 H  -0.6446000      0.7446000       1.836800    
 H  -0.4055000     -0.8992000       1.364400    
 H  -0.2238000       3.353000      -2.075200    
 H  -0.7417000       1.739700      -2.526900    
 H   0.9836000       2.068700      -2.289800    
 H    1.136400      -1.981800     -0.3977000    
 H    4.582200       1.458600      0.5519000    
 H   -2.713700       1.959900       1.128900    
 H   -2.030300      -2.169500      9.7300000E-02
 H   -5.099400       1.701800      0.5718000    
 H   -4.358400      -2.445200     -0.4467000    
 H    2.769500      -3.437400     -0.3099000    
 H    6.360300      5.1000002E-03  -1.201000    
 H    5.918400      -1.708800      -1.495800    
 H    7.316900      -1.305700     -0.4755000    
 H   -6.527700      -2.565100      4.5600001E-02
 H   -6.181600      -2.082000      -1.673600    
 H   -7.737300      -1.734600     -0.9269000    


%chk=000177088-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177088

0 1
O 5.705496 -0.684548 0.381433
O 3.835581 -2.732391 -0.461559
O -6.369599 -0.571929 -0.434764
N -0.173515 2.079881 -0.406122
C 0.094745 0.616452 -0.326036
C 1.592663 0.286328 -0.174443
C 0.587244 2.840368 0.616853
C 2.122924 2.717564 0.445437
C 2.540783 1.268752 0.219933
C -0.751435 -0.047654 0.817064
C -0.045440 2.628496 -1.773876
C 2.039944 -1.035732 -0.415284
C 3.899058 0.892623 0.357821
C -2.228818 -0.205393 0.487605
C 3.390942 -1.405647 -0.262507
C 4.348588 -0.422681 0.123925
C -3.062367 0.922225 0.240362
C -2.819277 -1.489863 0.420160
C -4.426010 0.766473 -0.065836
C -4.190482 -1.667784 0.115933
C -4.996397 -0.529981 -0.127795
C 6.464267 -1.462171 -0.620074
C -7.003833 -1.889044 -0.492829
H -0.261123 0.173944 -1.277812
H 0.298353 2.460664 1.615110
H 0.276477 3.900464 0.569322
H 2.637461 3.131537 1.334100
H 2.449082 3.333259 -0.417963
H -0.616543 0.553918 1.737083
H -0.318949 -1.041704 1.034484
H -0.286780 3.707058 -1.755960
H -0.775325 2.128591 -2.435619
H 0.967048 2.509117 -2.228221
H 1.311344 -1.799778 -0.726288
H 4.651686 1.629817 0.659662
H -2.610461 1.919015 0.270392
H -2.201603 -2.376172 0.615256
H -5.070660 1.630578 -0.255712
H -4.608286 -2.678558 0.077008
H 3.068018 -3.320378 -0.670562
H 6.441190 -0.952152 -1.602976
H 6.063049 -2.483471 -0.718491
H 7.495434 -1.483357 -0.235394
H -6.935927 -2.413891 0.480518
H -6.554042 -2.520718 -1.284276
H -8.058904 -1.690927 -0.733363


