%chk=000178081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178081

0 1
 O    2.231400       3.657200      0.4966000    
 N   -2.638200      4.8000002E-03  0.5589000    
 N    4.559900      0.1614000     -0.1103000    
 C   -1.462700     -0.6439000     -1.8400000E-02
 C  -0.1941000      7.7000000E-02  0.4486000    
 C   -1.408000      -2.110000      0.4074000    
 C    1.083000     -0.6538000      9.4700001E-02
 C  -0.2342000      -2.811800     -0.2725000    
 C    1.062600      -2.038500     -0.2056000    
 C   -3.860200     -0.6706000      0.1237000    
 C   -2.675700       1.418800      0.1872000    
 C    2.341200      5.2999998E-03  0.1086000    
 C    2.250500      -2.718100     -0.5132000    
 C    3.499300     -0.7130000     -0.1936000    
 C   -5.083500     -1.1900000E-02  0.7562000    
 C   -2.700900       1.567000      -1.332000    
 C    3.486400      -2.071500     -0.5109000    
 C    2.753000       1.344300      0.3839000    
 C    4.119100       1.407500      0.2402000    
 C   -6.367700     -0.7101000      0.3361000    
 C   -2.718400       3.030400      -1.745500    
 C    1.957400       2.479300      0.7600000    
 H   -1.494200     -0.6639000      -1.114700    
 H  -0.2068000      0.2277000       1.535600    
 H  -0.1343000       1.045900     -5.3700000E-02
 H   -2.289200      -2.690700      0.1242000    
 H   -1.304000      -2.185500       1.498200    
 H  -0.4740000      -2.975300      -1.331200    
 H  -0.1008000      -3.797200      0.1907000    
 H   -3.963800     -0.7511000     -0.9639000    
 H   -3.891600      -1.693500      0.5097000    
 H   -3.512400       1.953300      0.6462000    
 H   -1.823200       1.963000      0.6097000    
 H    2.219000      -3.777000     -0.7630000    
 H   -5.005500     -2.1900000E-02   1.850000    
 H   -5.212100       1.026500      0.4397000    
 H   -1.821700       1.141600      -1.821900    
 H   -3.587500       1.107400      -1.778500    
 H    4.398800      -2.608800     -0.7468000    
 H    5.525400     -8.5000001E-02 -0.2796000    
 H    4.819800       2.222900      0.3576000    
 H   -6.496400     -0.6767000     -0.7507000    
 H   -6.365600      -1.758800      0.6500000    
 H   -7.233400     -0.2221000      0.7953000    
 H   -3.602100       3.539800      -1.347700    
 H   -1.827400       3.551900      -1.380800    
 H   -2.739700       3.118500      -2.836500    
 H    1.035700       2.264900       1.320800    


%chk=000178081-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178081

0 1
O 2.523624 3.733311 0.477972
N -2.710317 -0.026424 0.408128
N 4.634615 0.098487 -0.227023
C -1.478966 -0.754547 -0.040864
C -0.193055 0.051932 0.259053
C -1.342378 -2.130736 0.655879
C 1.100959 -0.733672 0.069226
C -0.197194 -2.935589 0.010476
C 1.104599 -2.145453 -0.066641
C -3.954294 -0.679642 -0.086790
C -2.709993 1.447023 0.187949
C 2.355770 -0.050045 0.021104
C 2.323997 -2.857920 -0.276761
C 3.555402 -0.806545 -0.204178
C -5.249553 -0.143971 0.560588
C -2.748116 1.951740 -1.284293
C 3.565578 -2.207011 -0.360068
C 2.771835 1.354352 0.145228
C 4.171166 1.381539 -0.020567
C -6.469346 -1.018606 0.196144
C -2.660134 3.491904 -1.350163
C 2.010260 2.572689 0.428577
H -1.515270 -0.943751 -1.147606
H -0.250750 0.417977 1.306099
H -0.152307 0.946764 -0.388638
H -2.276662 -2.714306 0.586477
H -1.143479 -1.958509 1.731401
H -0.501766 -3.245651 -1.011837
H -0.026712 -3.871832 0.575985
H -4.047610 -0.610052 -1.201875
H -3.891195 -1.756989 0.148194
H -3.579735 1.866727 0.727165
H -1.824757 1.878699 0.688129
H 2.282031 -3.949363 -0.376181
H -5.109541 -0.121450 1.658645
H -5.445499 0.896971 0.238562
H -1.910643 1.506655 -1.858119
H -3.681145 1.611913 -1.775279
H 4.492062 -2.765935 -0.529189
H 5.609156 -0.162729 -0.367134
H 4.826239 2.249545 0.013822
H -6.608486 -1.073172 -0.900582
H -6.346307 -2.052263 0.570945
H -7.398630 -0.610154 0.632887
H -3.492628 3.961726 -0.792244
H -1.714046 3.856591 -0.906122
H -2.704472 3.857418 -2.392107
H 0.920893 2.448053 0.624429


