%chk=000178107.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178107

0 1
 O   0.5252000      -2.066200     -0.7057000    
 O    2.322600       2.820100     -0.1252000    
 O   -4.246700      -1.266500      0.2785000    
 N    1.724700     -0.3512000      0.2838000    
 N   0.1684000       2.083000     -0.3666000    
 C    3.023300     -0.9567000      2.1000000E-02
 C    1.713800      0.8553000       1.080400    
 C    3.229300      -1.076800      -1.493500    
 C    4.119500     -7.2899997E-02  0.6251000    
 C    3.070800      -2.350500      0.6577000    
 C   0.5573000     -0.9613000     -0.1623000    
 C  -0.7322000     -0.2292000     -1.6500000E-02
 C    1.450400       1.988000      0.1285000    
 C  -0.8853000       1.154700     -0.2165000    
 C   -1.875100      -1.031100      0.1552000    
 C   -2.181900       1.689400     -0.3083000    
 C   -3.152900     -0.4749000      0.1092000    
 C   -3.306900      0.8835000     -0.1362000    
 C   -5.524200     -0.6367000      0.1915000    
 H    2.554600       1.075200       1.732900    
 H   0.8713000      0.7954000       1.782500    
 H    3.109200     -0.1034000      -1.983900    
 H    4.239400      -1.437600      -1.720500    
 H    2.534800      -1.771200      -1.974700    
 H    4.126600     -8.0399998E-02   1.721300    
 H    4.127200      0.9515000      0.2395000    
 H    5.101000     -0.4832000      0.3478000    
 H    2.431700      -3.085200      0.1608000    
 H    4.089100      -2.756000      0.6178000    
 H    2.774200      -2.313400       1.712500    
 H  -6.8499997E-02   2.962900     -0.8186000    
 H   -1.780300      -2.104400      0.3095000    
 H   -2.327300       2.753200     -0.4876000    
 H   -4.267800       1.382100     -0.2023000    
 H   -5.660400      0.1076000      0.9833000    
 H   -6.279200      -1.413800      0.3497000    
 H   -5.699500     -0.2186000     -0.8056000    


%chk=000178107-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178107

0 1
O 0.522137 -2.095501 -0.709615
O 2.320397 2.978888 0.059790
O -4.261113 -1.293253 0.242688
N 1.719774 -0.365214 0.325704
N 0.200901 2.140957 -0.404608
C 3.080232 -1.001648 0.028808
C 1.611244 0.866013 1.139587
C 3.240039 -1.148360 -1.509711
C 4.231072 -0.104481 0.549781
C 3.154091 -2.383986 0.732237
C 0.550980 -0.943632 -0.162255
C -0.747206 -0.164615 -0.037640
C 1.434688 2.093235 0.239494
C -0.898620 1.248561 -0.222484
C -1.908925 -0.956438 0.108494
C -2.202581 1.801406 -0.280513
C -3.201327 -0.391803 0.073704
C -3.352435 1.002708 -0.138684
C -5.622889 -0.756293 0.178777
H 2.518964 1.014597 1.733996
H 0.755394 0.779328 1.834559
H 3.224042 -0.156420 -1.996900
H 4.211828 -1.626087 -1.730797
H 2.439999 -1.773083 -1.934641
H 4.283255 -0.078810 1.653919
H 4.169032 0.929662 0.166228
H 5.180759 -0.540554 0.193442
H 2.374976 -3.058099 0.344563
H 4.145377 -2.838798 0.550140
H 3.021511 -2.272014 1.824220
H 0.043548 2.978582 -0.974129
H -1.797146 -2.040036 0.202888
H -2.315161 2.882299 -0.427575
H -4.339891 1.470217 -0.188364
H -5.801863 -0.013098 0.980344
H -6.279805 -1.625521 0.327245
H -5.829080 -0.298012 -0.808194


