%chk=000178280.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178280

0 1
 O   0.1351000       3.730700     -0.1252000    
 O   -3.017700      0.2569000       2.855700    
 O   -4.415500      -2.020500      -1.099700    
 N   0.3499000       1.514300     -0.7776000    
 N    2.269300       2.909300     -0.4652000    
 C    3.333000      -3.193100      0.3017000    
 C    2.549100      -1.956200      1.7999999E-02
 C    1.109300      0.3162000     -0.5028000    
 C  -0.9645000       1.424600      -1.422300    
 C    2.684400     -0.8402000      0.8439000    
 C    1.681000      -1.915500      -1.073000    
 C   -1.933500      0.6126000     -0.6124000    
 C    1.951300      0.3164000      0.5788000    
 C   0.9481000     -0.7586000      -1.338100    
 C    4.853000      -2.961100      0.2093000    
 C    2.981100      -3.812800       1.667300    
 C   0.8674000       2.780800     -0.4276000    
 C   -2.730800     -0.3355000      -1.242600    
 C   -2.023400      0.8171000      0.7593000    
 C   -2.923700      6.2799998E-02   1.511700    
 C   -3.631000      -1.090000     -0.4902000    
 C   -3.727400     -0.8908000      0.8870000    
 C    3.100300       2.118300      -1.371200    
 C    2.987200       3.839000      0.3957000    
 C   -2.166400       1.247600       3.429700    
 C   -4.265600      -2.172400      -2.510400    
 H    3.087300      -3.950000     -0.4557000    
 H  -0.8305000       1.036900      -2.438300    
 H   -1.383400       2.431000      -1.545800    
 H    3.343300     -0.8554000       1.707600    
 H    1.567800      -2.774300      -1.729200    
 H    2.028900       1.135500       1.285800    
 H   0.3029000     -0.7580000      -2.208400    
 H    5.123500      -2.540100     -0.7654000    
 H    5.393500      -3.906200      0.3293000    
 H    5.209800      -2.272300      0.9827000    
 H    1.904700      -4.003500       1.742200    
 H    3.501700      -4.767200       1.801100    
 H    3.264600      -3.159200       2.499300    
 H   -2.615600     -0.4476000      -2.315200    
 H   -1.392900       1.580800       1.199500    
 H   -4.428900      -1.478800       1.473400    
 H    3.735800       2.824000      -1.920000    
 H    3.770600       1.458300     -0.8162000    
 H    2.526200       1.587200      -2.132600    
 H    2.298700       4.331300       1.087700    
 H    3.738300       3.287700      0.9684000    
 H    3.475000       4.593800     -0.2271000    
 H   -2.396500       2.247500       3.046200    
 H   -2.370200       1.264300       4.505400    
 H   -1.108700      0.9890000       3.309700    
 H   -3.260100      -2.518000      -2.773600    
 H   -4.964400      -2.953600      -2.827100    
 H   -4.544800      -1.258500      -3.045700    


%chk=000178280-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178280

0 1
O 0.063120 3.561309 0.220001
O -3.604565 1.255160 2.792082
O -3.729992 -2.448141 -0.179681
N 0.550308 1.560380 -0.920110
N 2.302048 2.994299 -0.122770
C 3.279084 -3.575309 -0.371822
C 2.573178 -2.224199 -0.511477
C 1.246466 0.306218 -0.782387
C -0.863052 1.514023 -1.418550
C 2.470892 -1.325558 0.583053
C 1.991860 -1.827091 -1.741407
C -1.830056 0.787030 -0.486378
C 1.811421 -0.086593 0.458621
C 1.342635 -0.581574 -1.882640
C 4.779989 -3.402195 -0.015298
C 2.569059 -4.486145 0.665541
C 0.933645 2.743417 -0.235515
C -2.307408 -0.499774 -0.829221
C -2.236994 1.412835 0.716098
C -3.131409 0.731047 1.577321
C -3.199012 -1.165338 0.052439
C -3.615222 -0.555722 1.253071
C 3.340354 2.422649 -0.994457
C 2.739801 4.068060 0.783190
C -3.137792 2.591871 3.170870
C -3.313087 -3.139260 -1.399414
H 3.224760 -4.083027 -1.356332
H -0.859034 1.029595 -2.411239
H -1.175902 2.563410 -1.545909
H 2.894351 -1.603541 1.555986
H 2.058020 -2.498751 -2.606833
H 1.717025 0.578144 1.323914
H 0.923868 -0.293729 -2.853563
H 5.302119 -2.786553 -0.769933
H 5.283223 -4.385474 0.040051
H 4.898692 -2.906789 0.966427
H 1.507746 -4.641871 0.401292
H 3.063645 -5.473877 0.719452
H 2.601260 -4.037047 1.675600
H -1.975218 -0.967934 -1.760933
H -1.835023 2.404236 0.943880
H -4.304101 -1.073270 1.925071
H 4.021086 3.233544 -1.317541
H 3.938647 1.644543 -0.481424
H 2.886014 1.972435 -1.889433
H 1.880435 4.398883 1.384487
H 3.546647 3.703152 1.447856
H 3.120409 4.939406 0.213561
H -3.443876 3.351315 2.425888
H -3.619857 2.800597 4.137542
H -2.036922 2.618281 3.284863
H -2.216235 -3.294622 -1.421787
H -3.824885 -4.112721 -1.367601
H -3.625565 -2.585236 -2.306698


