%chk=000178789.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178789

0 1
 O   -3.752200       1.701600      0.8761000    
 O  -2.1500001E-02   2.963900      -1.112900    
 N    1.579600      0.3152000     -0.6308000    
 N   -1.055600       1.344900      0.2058000    
 N   -1.185300      -3.458700      3.5200000E-02
 C    1.330300       1.473300      0.2404000    
 C    2.474200       2.480100      0.2280000    
 C   -2.121400      0.9511000     -0.7000000    
 C   -1.614700     -0.1962000      -1.605600    
 C   0.1510000      -1.681900     -0.2546000    
 C   -1.138400      -1.420300     -0.8686000    
 C    1.379000     -0.9622000     -0.1109000    
 C   2.9500000E-02   2.074600     -0.2687000    
 C   7.0000000E-02  -2.966000      0.3002000    
 C   -3.383700      0.5925000      7.6499999E-02
 C    2.131600       3.695800       1.087500    
 C    3.769500       1.830200      0.7121000    
 C   -1.913700      -2.546600     -0.6676000    
 C    2.329200      0.4098000      -1.870600    
 C    2.437000      -1.592500      0.5850000    
 C    1.122900      -3.578100      0.9882000    
 C    2.311100      -2.868400       1.122500    
 C   -4.928300       1.437900       1.632800    
 H    1.175600       1.142700       1.278100    
 H    2.652100       2.863300     -0.7839000    
 H   -2.339100       1.818600      -1.336400    
 H  -0.7955000      0.1670000      -2.239000    
 H   -2.417900     -0.4809000      -2.298000    
 H  -0.9318000      0.7739000       1.036800    
 H   -3.209100     -0.2687000      0.7316000    
 H   -4.195600      0.3477000     -0.6184000    
 H    1.910100       3.401600       2.119500    
 H    2.974000       4.395900       1.116800    
 H    1.271500       4.250400      0.7018000    
 H    3.638300       1.373500       1.699300    
 H    4.559900       2.584000      0.8056000    
 H    4.152700       1.069400      3.2499999E-02
 H   -2.929400      -2.769600     -0.9640000    
 H    2.233800       1.398500      -2.329000    
 H    1.935100     -0.3026000      -2.605800    
 H    3.389800      0.1819000      -1.733700    
 H    3.387100      -1.077800      0.7086000    
 H   -1.518000      -4.369800      0.3193000    
 H    1.020700      -4.575300       1.404000    
 H    3.148900      -3.316600       1.649800    
 H   -4.764500      0.5982000       2.315000    
 H   -5.771700       1.226200      0.9684000    
 H   -5.163200       2.327300       2.223500    


%chk=000178789-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178789

0 1
O -3.843534 1.617009 0.881256
O 0.063383 2.824886 -1.204290
N 1.744293 0.287418 -0.474525
N -0.935165 1.330845 0.283852
N -1.238347 -3.516072 -0.270273
C 1.524840 1.530005 0.321971
C 2.650875 2.580996 0.193039
C -2.046315 0.989448 -0.625034
C -1.534743 -0.067346 -1.676091
C 0.138457 -1.678535 -0.279420
C -1.067577 -1.369788 -1.059682
C 1.352961 -0.982344 0.073686
C 0.155885 2.033279 -0.209595
C -0.027176 -3.024863 0.226144
C -3.269975 0.490583 0.147087
C 2.311958 3.822876 1.050546
C 4.018498 1.981751 0.586021
C -1.858092 -2.521494 -1.032049
C 1.986120 0.401448 -1.925147
C 2.239781 -1.610006 0.980515
C 0.879589 -3.652986 1.107542
C 2.007982 -2.911349 1.503783
C -5.005740 1.223260 1.672589
H 1.438920 1.222028 1.383062
H 2.684059 2.905484 -0.865777
H -2.319103 1.908987 -1.172067
H -0.730661 0.425722 -2.248716
H -2.354373 -0.270682 -2.392763
H -0.764200 0.677481 1.053015
H -2.994344 -0.331158 0.848141
H -4.013515 0.081716 -0.574929
H 2.228021 3.555627 2.122523
H 3.106453 4.585649 0.957013
H 1.361373 4.280344 0.726809
H 4.034561 1.703080 1.658456
H 4.827949 2.716228 0.419289
H 4.244604 1.074873 -0.002950
H -2.827686 -2.690676 -1.498124
H 1.388931 1.214391 -2.384492
H 1.721015 -0.551442 -2.413536
H 3.055963 0.604924 -2.139245
H 3.160082 -1.074687 1.238199
H -1.608992 -4.447109 -0.095087
H 0.710292 -4.671342 1.474364
H 2.737368 -3.353660 2.191198
H -4.743546 0.453191 2.430444
H -5.823485 0.826393 1.032021
H -5.353744 2.134415 2.183628


