%chk=000176589.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176589

0 1
 O   -3.312300     -0.8322000     -0.2644000    
 O   -2.839800      -3.434200     -0.1952000    
 O    5.100400      0.1507000     -6.7000002E-02
 N    2.838300     -0.4517000      7.4100003E-02
 C   0.3944000     -0.7842000     -9.3000000E-03
 C    1.505300      9.1700003E-02  6.0699999E-02
 C   0.5785000      -2.189200      2.9899999E-02
 C    1.960500      -2.757400      0.2146000    
 C  -0.9271000     -0.2570000     -8.9400001E-02
 C    2.989600      -1.827500     -0.3991000    
 C    1.284400       1.474300      7.5499997E-02
 C   -1.128700       1.165600     -8.3800003E-02
 C  -3.5000001E-03   2.017600      4.9999999E-03
 C   -1.995700      -1.185100     -0.1612000    
 C  -0.5087000      -3.066100     -2.4100000E-02
 C   -1.792600      -2.563900     -0.1318000    
 C    2.439900       2.434300     -4.8599999E-02
 C   -2.398400       1.796900     -0.1585000    
 C  -0.1637000       3.415300      1.3500000E-02
 C    3.976600      0.2722000      0.4136000    
 C   -2.544500       3.186500     -0.1473000    
 C   -1.425100       3.997200     -6.1099999E-02
 C   -4.027900     -0.6537000      0.9538000    
 H    2.146000      -2.875100       1.289200    
 H    2.042600      -3.744500     -0.2545000    
 H    3.999400      -2.188600     -0.1718000    
 H    2.894800      -1.803200      -1.492800    
 H  -0.3486000      -4.140500      2.1199999E-02
 H    3.247700       2.058200     -0.6793000    
 H    2.197300       3.321200     -0.6430000    
 H    2.789600       2.779100      0.9285000    
 H   -3.332600       1.286400     -0.3145000    
 H   0.6493000       4.121900      0.1445000    
 H    3.793600      0.9976000       1.218100    
 H   -3.533200       3.630100     -0.2217000    
 H   -1.532100       5.077400     -4.1700002E-02
 H   -3.650700      -2.932100     -0.3831000    
 H   -3.442600     -0.1080000       1.701600    
 H   -4.313800      -1.626200       1.367000    
 H   -4.944000     -9.4700001E-02  0.7419000    


%chk=000176589-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176589

0 1
O -3.431612 -0.884410 0.030141
O -2.853920 -3.482083 -0.191238
O 4.795328 -0.670161 1.340185
N 2.801656 -0.436728 0.117485
C 0.374862 -0.765650 -0.097271
C 1.499744 0.161201 -0.004012
C 0.612417 -2.185612 -0.156828
C 2.033663 -2.736363 -0.165440
C -0.973040 -0.241210 -0.120256
C 3.036387 -1.678133 -0.656638
C 1.337177 1.545848 -0.036140
C -1.167545 1.213245 -0.169670
C -0.016621 2.084792 -0.098541
C -2.036123 -1.197233 -0.081650
C -0.464941 -3.076672 -0.224779
C -1.786285 -2.583624 -0.170145
C 2.517977 2.500367 -0.104662
C -2.456169 1.808540 -0.356306
C -0.223970 3.501180 -0.123126
C 3.688153 -0.098153 1.140630
C -2.625150 3.198888 -0.404819
C -1.501695 4.055967 -0.262836
C -3.848359 -0.587954 1.428356
H 2.322422 -3.049173 0.857803
H 2.086320 -3.637979 -0.802597
H 4.079306 -1.987485 -0.481020
H 2.892388 -1.462969 -1.730705
H -0.306173 -4.156504 -0.304020
H 3.457351 1.967474 -0.314486
H 2.369132 3.236535 -0.915449
H 2.657644 3.073350 0.832326
H -3.317602 1.154712 -0.503687
H 0.636255 4.169570 -0.032512
H 3.308797 0.723813 1.782280
H -3.624271 3.620898 -0.558722
H -1.630570 5.143764 -0.278180
H -3.689497 -2.938056 -0.244551
H -3.363822 0.337955 1.785824
H -3.586912 -1.430852 2.094563
H -4.940100 -0.451995 1.390195


