%chk=000173755.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173755

0 1
 O   -1.596200       2.886600      -1.121400    
 O   -3.528500       2.532100      0.6298000    
 N    1.490900      0.3882000      0.5612000    
 N   -2.713200      0.3628000      0.1357000    
 C   -1.341700      0.7204000     -0.1424000    
 C  -0.7046000       1.415000       1.065100    
 C  -0.5294000     -0.5124000     -0.5506000    
 C   0.7981000       1.643900      0.8768000    
 C   0.9663000     -0.2069000     -0.6746000    
 C   -1.494000       1.673400      -1.295900    
 C    2.931800      0.6139000      0.4480000    
 C   -3.101000      -1.042200      3.4400001E-02
 C   -3.706800       1.317800      0.5048000    
 C    3.678500     -0.7050000      0.2451000    
 C   -1.512600       1.069900      -2.674300    
 C   -5.084300      0.7326000      0.8028000    
 C    5.167800     -0.4886000      0.1492000    
 C   -3.546700      -1.488900      -1.174100    
 C   -2.990000      -1.810800       1.154800    
 C   -6.107800       1.794300       1.175900    
 C   -3.916700      -2.830200      -1.271200    
 C   -3.359900      -3.152200       1.057600    
 C    5.744300     -0.2605000      -1.091200    
 C    5.936400     -0.5207000       1.303100    
 C   -3.823200      -3.662000     -0.1554000    
 C    7.121900     -6.0100000E-02  -1.180000    
 C    7.314000     -0.3203000       1.214200    
 C    7.906600     -9.0000004E-02 -2.7400000E-02
 H   -1.167100       2.381200       1.294600    
 H  -0.8541000      0.7945000       1.960200    
 H  -0.5895000      -1.284100      0.2287000    
 H  -0.8559000     -0.9978000      -1.475600    
 H    1.194300       2.059400       1.811700    
 H   0.9685000       2.394000      9.3699999E-02
 H    1.162900      0.4448000      -1.533700    
 H    1.430100      -1.173200     -0.8889000    
 H    3.158300       1.309800     -0.3714000    
 H    3.299400       1.083700       1.369900    
 H    3.383800      -1.224200     -0.6722000    
 H    3.459900      -1.398700       1.067900    
 H  -0.5085000      0.7782000      -2.986500    
 H   -2.199100      0.2398000      -2.774800    
 H   -1.854700       1.840100      -3.374900    
 H   -5.007700      2.9999999E-02   1.638200    
 H   -5.457400      0.2064000     -8.0899999E-02
 H   -3.689900     -0.8463000      -2.031100    
 H   -2.630000      -1.414200       2.098300    
 H   -7.079900       1.332500       1.375200    
 H   -6.234100       2.520600      0.3662000    
 H   -5.799300       2.340400       2.073500    
 H   -4.292400      -3.223400      -2.211400    
 H   -3.288000      -3.799600       1.926700    
 H    5.141900     -0.2324000      -1.994700    
 H    5.483900     -0.6975000       2.274600    
 H   -4.114700      -4.705500     -0.2301000    
 H    7.583300      0.1200000      -2.146500    
 H    7.925100     -0.3429000       2.111700    
 H    8.979100      6.6399999E-02 -9.6400000E-02


%chk=000173755-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173755

0 1
O -0.700358 3.012810 -1.120211
O -3.504434 2.481016 0.148840
N 1.507019 0.280355 0.271296
N -2.787981 0.288186 -0.016650
C -1.385417 0.801389 -0.293699
C -0.701138 1.168585 1.056142
C -0.540498 -0.295932 -1.009445
C 0.819378 1.413220 0.954816
C 0.949214 0.092078 -1.090917
C -1.471505 2.028342 -1.263512
C 2.979611 0.457806 0.271836
C -3.039265 -1.129051 0.169512
C -3.769437 1.241438 0.268128
C 3.749337 -0.859939 -0.018265
C -2.338612 1.903929 -2.515636
C -5.152760 0.745383 0.699732
C 5.253621 -0.659345 0.083999
C -3.382616 -1.938429 -0.941457
C -2.956122 -1.709393 1.459340
C -6.221192 1.850379 0.605442
C -3.635815 -3.316393 -0.765083
C -3.210116 -3.088442 1.633663
C 6.003619 -0.198408 -1.029441
C 5.934797 -0.881781 1.308862
C -3.549404 -3.895200 0.523067
C 7.393774 0.032908 -0.924488
C 7.325033 -0.652495 1.419866
C 8.060176 -0.193091 0.302380
H -1.188134 2.068372 1.471551
H -0.865694 0.320482 1.748275
H -0.607229 -1.234162 -0.430219
H -0.937477 -0.496291 -2.022654
H 1.231769 1.493205 1.978759
H 1.000799 2.377350 0.431265
H 1.085771 1.009050 -1.718380
H 1.489866 -0.731030 -1.591094
H 3.308278 1.243073 -0.456090
H 3.275035 0.815793 1.276383
H 3.489815 -1.226691 -1.029319
H 3.400749 -1.619100 0.705816
H -1.681518 1.831185 -3.402748
H -3.013959 1.033976 -2.492632
H -2.935262 2.825032 -2.616615
H -5.078883 0.378320 1.743537
H -5.439874 -0.136547 0.097256
H -3.451432 -1.482040 -1.935049
H -2.696200 -1.080319 2.317516
H -7.186593 1.483558 0.997526
H -6.368596 2.173324 -0.439856
H -5.915577 2.739286 1.181362
H -3.901511 -3.935709 -1.628777
H -3.143075 -3.530743 2.633623
H 5.494338 -0.025837 -1.986261
H 5.370586 -1.242066 2.178491
H -3.746306 -4.964048 0.659816
H 7.956575 0.385983 -1.796353
H 7.834480 -0.834613 2.373217
H 9.138551 -0.016618 0.385533


