%chk=000150798.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150798

0 1
 O   -5.051800      0.1279000      -1.219500    
 O   0.2455000      -2.858800      0.4759000    
 O   0.6155000       3.366300      0.5348000    
 O    2.671000       2.925200     -9.7199999E-02
 N   -2.771900     -0.1662000      0.4590000    
 N    2.779200      -2.139000     -0.2692000    
 N    1.522900       2.556300      0.2390000    
 C   -2.677200     -0.3181000     -0.9995000    
 C   -4.117300     -0.5394000      0.9179000    
 C   -1.752900     -0.9694000       1.131500    
 C   -3.757400      0.5195000      -1.678200    
 C   -5.163800      0.3024000      0.1934000    
 C  -0.3611000     -0.5667000      0.7225000    
 C   0.5870000      -1.535200      0.4096000    
 C  -4.6599999E-02  0.7794000      0.6646000    
 C    1.879100      -1.183100      2.9100001E-02
 C    2.202500      0.1887000     -3.0900000E-02
 C    1.238000       1.159800      0.2872000    
 C    3.503000      0.5437000     -0.4139000    
 C    4.432700     -0.4391000     -0.7217000    
 C    4.023500      -1.754200     -0.6344000    
 H   -2.809900      -1.371900      -1.279000    
 H   -1.713600      1.4200000E-02  -1.397700    
 H   -4.211200     -0.3719000       1.996800    
 H   -4.306400      -1.602700      0.7206000    
 H   -1.936400      -2.034200      0.9424000    
 H   -1.824000     -0.8272000       2.218100    
 H   -3.612400       1.591500      -1.496300    
 H   -3.727300      0.3603000      -2.760900    
 H   -6.168400     -1.6100001E-02  0.4894000    
 H   -5.067600       1.367000      0.4394000    
 H  -0.8006000       1.515000      0.9321000    
 H    3.948700       1.516300     -0.5217000    
 H    1.021600      -3.389900      0.2263000    
 H    5.443800     -0.1866000      -1.020100    
 H    4.706700      -2.565600     -0.8632000    


%chk=000150798-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150798

0 1
O -5.328951 0.569208 -0.844500
O 0.593253 -3.014882 0.487569
O 0.209483 3.283684 -0.091916
O 2.467186 3.117528 -0.301915
N -2.815166 -0.338179 0.283943
N 3.025341 -2.153530 0.058005
N 1.296328 2.581415 -0.132164
C -3.040727 -0.329064 -1.186547
C -4.097685 -0.532762 1.008208
C -1.765704 -1.291817 0.696801
C -4.053107 0.768237 -1.552946
C -5.090459 0.571471 0.608271
C -0.361247 -0.775818 0.411963
C 0.732021 -1.654070 0.338135
C -0.094803 0.606964 0.251651
C 2.068162 -1.158064 0.103893
C 2.341464 0.245458 -0.060482
C 1.194149 1.119418 0.020367
C 3.719476 0.585651 -0.287929
C 4.684103 -0.428755 -0.333417
C 4.304418 -1.793215 -0.156344
H -3.423508 -1.319029 -1.539206
H -2.081616 -0.132410 -1.701022
H -3.908505 -0.479909 2.097387
H -4.552163 -1.529474 0.782190
H -1.882611 -2.297390 0.225804
H -1.863269 -1.456817 1.788893
H -3.632349 1.764310 -1.296650
H -4.302977 0.736533 -2.626004
H -6.077392 0.405548 1.070564
H -4.690151 1.559858 0.920899
H -0.941865 1.296618 0.313432
H 3.993531 1.632196 -0.419522
H 1.534732 -3.382046 0.382148
H 5.736039 -0.182041 -0.504271
H 5.047467 -2.596624 -0.189089


