%chk=000176611.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176611

0 1
 O   -2.181800       3.193900     -4.1099999E-02
 N  -0.4735000       1.625600      0.2128000    
 N    1.970000      -1.197800      0.6026000    
 N   -5.155400      0.3099000      2.5800001E-02
 C  -0.1409000      0.2166000      0.5599000    
 C    1.318900     -2.3499999E-02  0.3441000    
 C    2.246600      0.8887000     -0.1119000    
 C  -0.9910000     -0.7480000     -0.2690000    
 C   0.5810000       2.655300      0.3214000    
 C    1.850900       2.277800     -0.4546000    
 C   -2.441900     -0.3879000     -0.1387000    
 C    3.509400      0.2385000     -0.1592000    
 C   -1.807900       2.028000      6.3500002E-02
 C    3.307500      -1.069500      0.2935000    
 C   -2.821600      0.9470000      1.4900000E-02
 C   -3.431700      -1.367600     -0.2252000    
 C    4.809000      0.6306000     -0.5384000    
 C    4.345100      -2.004600      0.3830000    
 C   -4.177900       1.241700      9.1399997E-02
 C    5.854800     -0.2954000     -0.4544000    
 C   -4.756600     -0.9710000     -0.1328000    
 C    5.624200      -1.592300     -7.9999998E-04
 C   -3.148500      -2.782000     -0.4198000    
 C   -3.888700      -3.814000      3.2800000E-02
 H  -0.3713000      0.1054000       1.628300    
 H  -0.7932000      -1.764700      8.8200003E-02
 H  -0.7150000     -0.7060000      -1.331000    
 H   0.8015000       2.764000       1.391000    
 H   0.2073000       3.621600     -3.2900002E-02
 H    2.652800       2.985500     -0.2195000    
 H    1.656100       2.335100      -1.532300    
 H    1.538100      -2.039300      0.9589000    
 H    5.004500       1.638300     -0.8937000    
 H    4.167400      -3.014500      0.7373000    
 H   -4.539500       2.258200      0.2105000    
 H    6.858300      2.3000001E-03 -0.7465000    
 H   -5.585100      -1.669500     -0.2051000    
 H    6.451300      -2.295300      5.6899998E-02
 H   -2.268400      -3.027000      -1.009000    
 H   -3.585300      -4.832600     -0.1875000    
 H   -4.781300      -3.680100      0.6332000    


%chk=000176611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176611

0 1
O -2.123448 3.243567 -0.124795
N -0.467359 1.629512 0.219177
N 1.994092 -1.209845 0.675180
N -5.193336 0.358817 0.034705
C -0.134754 0.226642 0.604671
C 1.341909 0.005301 0.398476
C 2.254917 0.917115 -0.121987
C -0.979212 -0.767823 -0.239156
C 0.577524 2.677876 0.353277
C 1.840467 2.325086 -0.464303
C -2.456170 -0.435567 -0.150165
C 3.540540 0.249006 -0.180968
C -1.791534 2.023661 0.027880
C 3.348355 -1.085879 0.328949
C -2.817501 0.927379 0.001475
C -3.492450 -1.413311 -0.222869
C 4.836456 0.642700 -0.605956
C 4.403771 -2.017602 0.423094
C -4.186276 1.276572 0.099264
C 5.893858 -0.283800 -0.516204
C -4.835740 -0.945049 -0.135397
C 5.680132 -1.598965 -0.007510
C -3.197846 -2.849846 -0.427136
C -3.982605 -3.887135 -0.024690
H -0.401703 0.072499 1.677617
H -0.785849 -1.794538 0.119240
H -0.634860 -0.715045 -1.291357
H 0.852702 2.782273 1.422919
H 0.114293 3.620626 0.021901
H 2.641092 3.047252 -0.213721
H 1.631284 2.438033 -1.546097
H 1.564386 -2.039269 1.078734
H 5.012727 1.649969 -0.999727
H 4.246972 -3.029327 0.813720
H -4.467306 2.326623 0.221276
H 6.899270 0.005542 -0.841156
H -5.666253 -1.652337 -0.240742
H 6.523350 -2.296144 0.050027
H -2.270813 -3.084731 -0.969082
H -3.708439 -4.923588 -0.247449
H -4.906442 -3.734850 0.545485


