%chk=000157627.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157627

0 1
 O  -0.4555000       3.322700     -0.4718000    
 O   -3.549700       2.133800      1.5200000E-02
 O   -2.354200       1.693700       1.937800    
 N  -0.4507000      -2.563900     -0.4796000    
 N    1.830200      0.3259000      -1.304800    
 C   9.5500000E-02  -1.556300      -1.434100    
 C   -1.997800     -6.6100001E-02  -1.000900    
 C   -1.011700     -0.6589000      -2.020800    
 C    1.266500     -0.8296000     -0.8428000    
 C   -1.341200      -1.988700      0.5427000    
 C   -2.445900      -1.156800     -5.6699999E-02
 C   0.6360000      -3.361200      0.1415000    
 C    2.014100      -1.275000      0.2284000    
 C   -1.430100       1.136200     -0.2437000    
 C    1.671100      -2.535700      0.9449000    
 C    3.049000     -0.3283000      0.4568000    
 C    2.909600      0.6662000     -0.5170000    
 C   -1.006400       2.237900      -1.209500    
 C   -3.741000      -1.384200      0.2107000    
 C   -2.476400       1.668700      0.7198000    
 C    4.095100     -0.2166000       1.394300    
 C    3.768700       1.768200     -0.5965000    
 C   -4.224100      -2.465000       1.113700    
 C    4.959600      0.8818000       1.326600    
 C    4.797000       1.857800      0.3458000    
 C   -4.607500       2.693500      0.8000000    
 H   0.5014000      -2.125300      -2.283700    
 H   -2.866300      0.2741000      -1.584000    
 H  -0.5983000      9.0899996E-02  -2.700000    
 H   -1.609800      -1.306600      -2.682200    
 H  -0.7889000      -1.353300       1.245600    
 H   -1.737500      -2.817300       1.137600    
 H    1.159100      -3.897800     -0.6621000    
 H   0.2123000      -4.143200      0.7838000    
 H  -0.5702000      0.8605000      0.3775000    
 H    2.571700      -3.139400       1.103500    
 H    1.264600      -2.286600       1.932200    
 H    1.533400      0.8407000      -2.121100    
 H  -0.2412000       1.929000      -1.917300    
 H   -1.854500       2.621700      -1.787400    
 H   -4.502400     -0.7673000     -0.2596000    
 H    4.234700     -0.9699000       2.164500    
 H    3.644000       2.528500      -1.360200    
 H   -5.299600      -2.344000       1.282900    
 H   -3.743600      -2.421900       2.096000    
 H   -4.072500      -3.451300      0.6647000    
 H    5.767300      0.9728000       2.048100    
 H    5.480400       2.702400      0.3111000    
 H  -0.2063000       4.008700      -1.114400    
 H   -5.019800       1.936300       1.473700    
 H   -5.396500       3.024900      0.1198000    
 H   -4.243900       3.557500       1.364200    


%chk=000157627-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157627

0 1
O 0.138214 2.618972 -1.826155
O -3.675221 2.113384 0.085448
O -2.275326 1.683090 1.896474
N -0.422931 -2.520175 -0.465712
N 1.869041 0.402522 -1.255681
C 0.147840 -1.543931 -1.443108
C -2.001928 -0.067775 -1.102684
C -0.974244 -0.689747 -2.090261
C 1.305424 -0.798195 -0.796522
C -1.287116 -1.872339 0.567077
C -2.435863 -1.128989 -0.089252
C 0.648781 -3.366650 0.129682
C 2.054774 -1.290687 0.276030
C -1.483585 1.256752 -0.418089
C 1.706251 -2.583191 0.976197
C 3.119032 -0.337724 0.523853
C 2.970973 0.718920 -0.449810
C -1.279430 2.402571 -1.464389
C -3.755730 -1.353861 0.159019
C -2.469506 1.686043 0.661448
C 4.182679 -0.261192 1.461977
C 3.841982 1.829447 -0.495584
C -4.373361 -2.357312 1.106959
C 5.054129 0.845973 1.419740
C 4.885778 1.881261 0.452894
C -4.733316 2.520977 1.040587
H 0.572704 -2.154461 -2.270131
H -2.892906 0.235026 -1.687217
H -0.524230 0.087727 -2.737254
H -1.539272 -1.371402 -2.752622
H -0.711304 -1.157518 1.206936
H -1.656621 -2.671199 1.232020
H 1.163099 -3.873471 -0.709636
H 0.169523 -4.149719 0.746631
H -0.527896 1.062531 0.101401
H 2.601524 -3.221810 1.114794
H 1.311838 -2.379767 1.993513
H 1.380399 1.073560 -1.862851
H -1.773052 2.151582 -2.416492
H -1.713334 3.351492 -1.097459
H -4.480711 -0.731829 -0.391120
H 4.324671 -1.049830 2.210000
H 3.731046 2.615377 -1.252155
H -5.112091 -2.988637 0.576211
H -4.920481 -1.845839 1.923857
H -3.630021 -3.025902 1.571754
H 5.878583 0.916489 2.138417
H 5.583857 2.726131 0.442522
H 0.590917 3.084277 -1.077294
H -5.030505 1.660066 1.662832
H -5.566538 2.863077 0.410833
H -4.368741 3.330103 1.695570


