%chk=000159549.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159549

0 1
 O   -4.572700      -1.165100      0.5401000    
 O   -2.819800       1.816500       1.311800    
 O   -1.242400      -3.566500     -0.4871000    
 O   -5.199200      0.7159000       1.593200    
 O   -4.932000       3.089200      -2.053500    
 N   0.2005000      -1.782500     -0.2015000    
 N    2.429400       1.013500      0.1967000    
 C   -3.140500      0.8220000      0.3362000    
 C   -1.978700     -0.1182000      0.1686000    
 C   0.4004000     -0.4308000      2.5900001E-02
 C   -2.200600      -1.424400     -6.4499997E-02
 C    1.487700      -2.487700     -0.3714000    
 C  -0.6229000      0.4082000      0.2048000    
 C    2.477000      -1.380000     -0.2181000    
 C    1.833400     -0.1730000      1.4800000E-02
 C   -1.048300      -2.372600     -0.2713000    
 C   -3.499300       1.515700     -0.9801000    
 C   -3.585600      -1.970000     -0.1412000    
 C   -4.378400      0.1275000      0.8915000    
 C    3.850600      -1.389900     -0.2726000    
 C   -4.640400       2.497200     -0.7952000    
 C    4.531300     -0.1748000     -8.8900000E-02
 C    3.777200       1.010200      0.1444000    
 C    5.933300     -0.1199000     -0.1332000    
 C    4.472900       2.201300      0.3232000    
 C    6.598700       1.089100      4.9699999E-02
 C    5.868400       2.249100      0.2778000    
 H    1.512900      -2.944600      -1.365100    
 H    1.579300      -3.249300      0.4087000    
 H  -0.4624000       1.468000      0.3677000    
 H   -3.768500      0.7821000      -1.751500    
 H   -2.635000       2.067000      -1.374300    
 H   -3.902000      -2.081900      -1.183500    
 H   -3.632500      -2.956500      0.3314000    
 H    4.386200      -2.317100     -0.4532000    
 H   -5.564000       2.025200     -0.4530000    
 H   -4.379600       3.301800     -0.1016000    
 H   -2.538200       1.365700       2.126800    
 H    6.518200      -1.019900     -0.3109000    
 H    3.926700       3.125500      0.5035000    
 H   -5.208300       2.378800      -2.657300    
 H    7.683300       1.125200      1.4200000E-02
 H    6.382200       3.195300      0.4212000    


%chk=000159549-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159549

0 1
O -4.452226 -1.178084 0.826485
O -2.768034 2.104674 1.155849
O -1.184820 -3.489086 -0.676578
O -4.859893 0.676867 2.101234
O -5.333436 2.809511 -2.212946
N 0.222267 -1.653477 -0.294408
N 2.565437 1.024934 0.279623
C -3.134651 0.924544 0.383086
C -1.914661 0.029507 0.175053
C 0.460928 -0.312945 0.021297
C -2.148194 -1.313488 -0.131542
C 1.470188 -2.433586 -0.516729
C -0.591631 0.558307 0.265984
C 2.540751 -1.386470 -0.297750
C 1.918873 -0.122640 0.022962
C -1.060451 -2.251350 -0.388966
C -3.695368 1.391490 -1.002730
C -3.551902 -1.853278 -0.170844
C -4.216092 0.136631 1.173344
C 3.924825 -1.457100 -0.354221
C -4.946657 2.286136 -0.894248
C 4.677322 -0.260666 -0.089236
C 3.953904 0.964457 0.225476
C 6.107708 -0.229525 -0.123141
C 4.690613 2.162215 0.491936
C 6.799770 0.955192 0.141276
C 6.086675 2.157777 0.450611
H 1.463479 -2.866392 -1.534055
H 1.512151 -3.278822 0.194896
H -0.413875 1.598803 0.536740
H -3.906944 0.514384 -1.646392
H -2.892746 1.973063 -1.491967
H -4.032569 -1.741515 -1.161665
H -3.570062 -2.918930 0.103572
H 4.451564 -2.388525 -0.591652
H -5.792294 1.747104 -0.418433
H -4.717331 3.180224 -0.295239
H -3.419577 2.180290 1.909148
H 6.654505 -1.150296 -0.359518
H 4.119574 3.065726 0.725458
H -5.657912 2.062778 -2.777389
H 7.894546 0.969188 0.113285
H 6.644546 3.077674 0.655536


