%chk=000176711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176711

0 1
 O   -4.710600     -0.6959000      0.6660000    
 O   -1.527400      0.6966000     -0.5602000    
 N   -2.070700      -1.525400      9.8499998E-02
 N   -2.177600      -2.075300      -1.100500    
 N   -1.492100      -3.557700      0.5010000    
 C   -4.376900       1.656900      0.1184000    
 C   -3.868900      0.1896000     -8.0799997E-02
 C   -2.384700     -9.3000002E-02  0.2728000    
 C   -5.871700       1.766600     -0.2383000    
 C   -4.174300       2.181200       1.551400    
 C   -3.591500       2.587100     -0.8349000    
 C  -0.1689000      0.6068000     -0.4178000    
 C   -1.670600      -2.378200       1.049200    
 C   0.4193000      0.9263000      0.8016000    
 C   0.6120000      0.1985000      -1.494100    
 C   -1.812700      -3.324800     -0.8058000    
 C    2.592200      0.4271000     -0.1290000    
 C    1.803600      0.8360000      0.9464000    
 C    1.996400      0.1083000      -1.349200    
 C    4.028000      0.3341000      2.1000000E-02
 C    4.832100       1.438900     -0.2601000    
 C    4.608700     -0.8599000      0.4485000    
 C    6.216400       1.349600     -0.1135000    
 C    5.993000     -0.9492000      0.5952000    
 C    6.796900      0.1556000      0.3142000    
 H   -4.028000     -5.7500001E-02  -1.140100    
 H   -2.211000      0.1300000       1.332300    
 H   -6.058400       1.419900      -1.260900    
 H   -6.490400       1.166600      0.4379000    
 H   -6.224800       2.801900     -0.1693000    
 H   -4.566000       3.199200       1.659300    
 H   -3.115200       2.209300       1.827600    
 H   -4.693100       1.547200       2.278500    
 H   -2.578900       2.796200     -0.4789000    
 H   -4.085200       3.563800     -0.9131000    
 H   -3.535600       2.174300      -1.848000    
 H   -4.583300      -1.594700      0.3186000    
 H   -1.522300      -2.124600       2.089500    
 H  -0.1810000       1.258300       1.643600    
 H   0.1520000     -5.0500002E-02  -2.446200    
 H   -1.778700      -4.089600      -1.567300    
 H    2.252200       1.090900       1.903800    
 H    2.596300     -0.2121000      -2.197800    
 H    4.396000       2.377400     -0.5942000    
 H    3.996900      -1.730600      0.6723000    
 H    6.842300       2.209700     -0.3322000    
 H    6.445100      -1.878800      0.9282000    
 H    7.874700      8.6099997E-02  0.4284000    


%chk=000176711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176711

0 1
O -5.021032 -0.497251 0.248486
O -1.562010 -0.064140 -0.854184
N -2.544255 -1.713516 0.581480
N -3.386237 -2.623863 -0.083027
N -2.002509 -3.729375 1.411046
C -4.149287 1.749853 -0.066530
C -3.900025 0.228297 -0.332606
C -2.528636 -0.282681 0.227215
C -5.440165 2.137650 -0.838580
C -4.364568 2.010323 1.448044
C -2.972026 2.611404 -0.593238
C -0.180884 0.050031 -0.555683
C -1.732674 -2.404276 1.460677
C 0.351946 0.453632 0.692220
C 0.686383 -0.210533 -1.641327
C -3.014420 -3.812660 0.459275
C 2.641709 0.332540 -0.236193
C 1.749257 0.589213 0.837919
C 2.075785 -0.068064 -1.479632
C 4.115774 0.478862 -0.069513
C 4.660092 1.476054 0.786851
C 5.018639 -0.375335 -0.761654
C 6.055205 1.613606 0.947230
C 6.414164 -0.237482 -0.604013
C 6.940736 0.757516 0.252105
H -3.845396 0.064448 -1.430536
H -2.240251 0.262768 1.142276
H -5.306309 1.996353 -1.928284
H -6.289812 1.515889 -0.511592
H -5.685764 3.201352 -0.662561
H -4.646226 3.066998 1.610626
H -3.447049 1.825039 2.041250
H -5.167003 1.363716 1.839749
H -2.034203 2.439651 -0.033480
H -3.228002 3.682342 -0.489713
H -2.764961 2.408274 -1.659435
H -4.905472 -1.457430 -0.012784
H -0.979701 -1.934110 2.086985
H -0.289920 0.672814 1.551740
H 0.252623 -0.511655 -2.599446
H -3.490104 -4.745933 0.170752
H 2.150668 0.875581 1.816284
H 2.730895 -0.246538 -2.339089
H 3.987584 2.169271 1.305100
H 4.625203 -1.172794 -1.402444
H 6.451661 2.394892 1.605427
H 7.090116 -0.912788 -1.140486
H 8.024060 0.864257 0.375294


