%chk=000166410.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166410

0 1
 O    1.920500     -3.0099999E-02  0.1978000    
 O   -6.688600     -0.2787000     -0.1126000    
 O    3.204800      -1.862800     -0.3636000    
 O   -7.986200       1.585700      0.3128000    
 N    6.692400      0.4562000      0.4127000    
 C   -1.782200     -0.6173000     -4.9899999E-02
 C   -2.987100      0.2965000      0.1789000    
 C  -0.4695000      0.1168000      0.2145000    
 C    5.602800     -0.4711000      0.1345000    
 C   -4.300600     -0.4471000     -5.2900001E-02
 C   0.7358000     -0.7740000     -5.1199999E-02
 C    4.256200      0.2253000      0.3082000    
 C    6.941200       1.321200     -0.7422000    
 C    7.910600     -0.2719000      0.7728000    
 C   -5.503900      0.4669000      0.1312000    
 C    3.100200     -0.6999000      1.3000000E-03
 C    8.030300       2.337300     -0.4425000    
 C    8.390200      -1.141800     -0.3768000    
 C   -7.860900      0.4086000      1.4200000E-02
 C   -8.970800     -0.5237000     -0.2725000    
 C   -10.23540     -9.6299998E-02 -0.2147000    
 H   -1.795800     -0.9885000      -1.081900    
 H   -1.851900      -1.491400      0.6090000    
 H   -2.964000      0.6880000       1.203200    
 H   -2.926300       1.157600     -0.4977000    
 H  -0.4024000       1.012800     -0.4153000    
 H  -0.4362000      0.4757000       1.250800    
 H    5.668400     -0.9065000     -0.8713000    
 H    5.622300      -1.312900      0.8403000    
 H   -4.322000     -0.8733000      -1.063800    
 H   -4.381700      -1.299200      0.6334000    
 H   0.7082000      -1.648900      0.6090000    
 H   0.7303000      -1.111500      -1.094300    
 H    4.147600      0.5737000       1.342100    
 H    4.159800       1.082200     -0.3662000    
 H    6.039000       1.905500     -0.9560000    
 H    7.164600      0.7790000      -1.667900    
 H    7.707600     -0.9084000       1.644100    
 H    8.707700      0.3993000       1.109300    
 H   -5.523300      0.8598000       1.154600    
 H   -5.449800       1.305100     -0.5735000    
 H    7.862400       2.840600      0.5160000    
 H    9.030500       1.894000     -0.4394000    
 H    8.032900       3.110900      -1.218800    
 H    7.646100      -1.866100     -0.7194000    
 H    8.750400     -0.5671000      -1.234400    
 H    9.248000      -1.731700     -3.1399999E-02
 H   -8.743700      -1.552500     -0.5286000    
 H   -11.04990     -0.7815000     -0.4253000    
 H   -10.49450      0.9259000      3.8400002E-02


%chk=000166410-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166410

0 1
O 1.948008 -0.086727 0.195040
O -6.817537 -0.284924 -0.058991
O 3.202057 -2.046081 0.318745
O -8.055967 1.694365 -0.186106
N 6.826191 0.337692 0.287123
C -1.832271 -0.679861 0.083606
C -3.035490 0.288088 0.033485
C -0.475899 0.062447 0.113171
C 5.652176 -0.495921 -0.065343
C -4.393390 -0.451622 0.009484
C 0.701832 -0.910885 0.163617
C 4.329525 0.159628 0.389864
C 6.995014 1.506442 -0.614644
C 8.060655 -0.455123 0.525863
C -5.566188 0.527190 -0.044002
C 3.151629 -0.793556 0.293333
C 8.035993 2.524495 -0.112901
C 8.678116 -1.167439 -0.709948
C -8.014545 0.440006 -0.133548
C -9.171856 -0.492753 -0.139500
C -10.446890 -0.030121 -0.208114
H -1.869221 -1.355308 -0.795981
H -1.921599 -1.328134 0.979823
H -2.995694 0.965749 0.911241
H -2.947152 0.934146 -0.864442
H -0.377856 0.704958 -0.783053
H -0.431414 0.731041 0.994383
H 5.594661 -0.720173 -1.159128
H 5.742169 -1.469317 0.449204
H -4.441044 -1.124654 -0.868144
H -4.491946 -1.088174 0.909824
H 0.680061 -1.550952 1.065502
H 0.739892 -1.570295 -0.723512
H 4.445430 0.463884 1.449068
H 4.089458 1.076959 -0.174507
H 6.015579 2.016586 -0.679085
H 7.253078 1.194941 -1.659572
H 7.818402 -1.211419 1.296775
H 8.817203 0.213006 0.976906
H -5.594077 1.196939 0.836018
H -5.546437 1.158112 -0.952431
H 7.811723 2.818959 0.927766
H 9.064405 2.122307 -0.145269
H 8.014945 3.430333 -0.746210
H 7.963029 -1.875777 -1.166780
H 8.988263 -0.443991 -1.486029
H 9.574616 -1.740528 -0.408101
H -8.936680 -1.560754 -0.085896
H -11.304463 -0.710777 -0.212795
H -10.642396 1.047394 -0.260813


