%chk=000178138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178138

0 1
 O  -0.9584000       1.383400      -1.622500    
 N   -2.441500      0.8284000      7.5700000E-02
 C   -3.520000      0.3676000     -0.7702000    
 C   -3.363700      -1.120600      -1.100300    
 C   -4.882700      0.6546000     -0.1309000    
 C   -3.650400      -2.019800      0.1023000    
 C   -5.167000     -0.2475000       1.070200    
 C   -5.016100      -1.723300      0.7141000    
 C   -1.240600       1.301700     -0.4284000    
 C  -0.2728000       1.731500      0.6611000    
 C   0.9573000      0.8572000      0.6265000    
 C    2.087300       1.160200     -4.2100001E-02
 C   0.8676000     -0.4180000       1.421900    
 C    3.293000      0.3283000     -7.0200004E-02
 C    4.266300      0.4962000      0.9074000    
 C    3.450200     -0.6202000      -1.073500    
 C    5.414100     -0.2963000      0.8812000    
 C    4.597700      -1.412700      -1.099800    
 C    5.579700      -1.250700     -0.1225000    
 H   -3.459200      0.9317000      -1.709300    
 H   -2.354200      -1.328300      -1.475100    
 H   -4.060400      -1.380800      -1.907400    
 H   -5.668300      0.4996000     -0.8815000    
 H   -4.943600       1.704300      0.1809000    
 H   -2.871000      -1.881500      0.8616000    
 H   -3.607300      -3.070100     -0.2073000    
 H   -6.185000     -6.1799999E-02   1.431600    
 H   -4.491600      1.7000000E-03   1.897100    
 H   -5.802500      -2.008500      4.3000001E-03
 H   -5.159500      -2.335800       1.611400    
 H   -2.550900      0.7400000       1.081200    
 H  -9.8999999E-03   2.778500      0.4664000    
 H  -0.7347000       1.709400       1.653900    
 H    2.148400       2.083400     -0.6128000    
 H   2.1000000E-02  -1.016800       1.067800    
 H    1.749300      -1.060800       1.375100    
 H   0.6966000     -0.1834000       2.478300    
 H    4.150300       1.236200       1.695200    
 H    2.692800     -0.7570000      -1.841200    
 H    6.178600     -0.1703000       1.642200    
 H    4.726600      -2.156000      -1.881100    
 H    6.473100      -1.867800     -0.1429000    


%chk=000178138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178138

0 1
O -1.126745 1.028301 -1.953014
N -2.503418 0.870598 -0.086577
C -3.636875 0.258939 -0.820929
C -3.455338 -1.277521 -0.969393
C -4.972508 0.593729 -0.113302
C -3.614174 -2.019153 0.378058
C -5.142734 -0.157163 1.232657
C -4.968680 -1.684559 1.049223
C -1.316632 1.210848 -0.712240
C -0.234356 1.828573 0.200807
C 0.914920 0.859765 0.477782
C 2.096288 1.017547 -0.196768
C 0.598245 -0.259299 1.453716
C 3.344642 0.228537 -0.104172
C 3.810290 -0.382820 1.096659
C 4.161775 0.113672 -1.267194
C 5.023773 -1.104074 1.121463
C 5.370454 -0.611834 -1.245025
C 5.806864 -1.230487 -0.049330
H -3.619720 0.709101 -1.831055
H -2.468014 -1.478503 -1.423043
H -4.220933 -1.644749 -1.683111
H -5.796415 0.294079 -0.790549
H -5.057465 1.688156 0.032021
H -2.785227 -1.731864 1.058534
H -3.524633 -3.110739 0.219368
H -6.138789 0.069036 1.658958
H -4.402632 0.207026 1.978012
H -5.793079 -2.067389 0.412405
H -5.052900 -2.198854 2.026026
H -2.605881 1.046668 0.913978
H 0.146446 2.722721 -0.322175
H -0.684965 2.161476 1.158412
H 2.122751 1.818577 -0.950374
H -0.435558 -0.622552 1.293708
H 1.279564 -1.117476 1.337134
H 0.660512 0.084614 2.506555
H 3.243627 -0.255169 2.024184
H 3.828602 0.589279 -2.197840
H 5.365476 -1.557467 2.059183
H 5.973733 -0.692955 -2.156401
H 6.748310 -1.790715 -0.027953


