%chk=000129207.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129207

0 1
 O  -0.1850000       1.865100      -2.337300    
 N    3.175200      0.2455000      0.9953000    
 N   -1.800200      4.3099999E-02   1.540000    
 N  -0.4937000       2.789800     -0.2720000    
 C  -0.4346000      0.3149000     -0.4412000    
 C  -0.2872000     -0.7814000      -1.562300    
 C   0.7564000      0.2145000      0.5736000    
 C  -0.2781000      -2.276900      -1.158400    
 C   -1.828700      0.2236000      0.2246000    
 C    2.155300      0.3664000     -4.3299999E-02
 C  -0.3526000       1.716100      -1.127100    
 C   -1.675700      -2.668000     -0.6575000    
 C   0.7488000      -2.627600     -8.4299996E-02
 C    4.508700      0.3768000      0.4278000    
 C   -2.915000      0.3343000     -0.5854000    
 C   -4.152100      0.2481000      4.3400001E-02
 C    4.748700     -0.7099000     -0.6163000    
 C    5.545300      0.3024000       1.544500    
 C   -3.020700     -3.5999998E-02   2.116100    
 C   -4.214600      5.9400000E-02   1.419700    
 H   -1.066100     -0.6471000      -2.325700    
 H   0.6401000     -0.5958000      -2.120200    
 H   0.6946000     -0.6392000       1.241600    
 H   0.6560000       1.048800       1.285800    
 H  -5.7999998E-02  -2.859500      -2.062000    
 H    2.238400       1.354200     -0.5124000    
 H    2.291100     -0.3705000     -0.8300000    
 H   -1.881700      -2.344200      0.3632000    
 H   -1.747700      -3.762900     -0.6358000    
 H   -2.463900      -2.324500      -1.333500    
 H    1.741000      -2.224500     -0.2669000    
 H   0.4010000      -2.458100      0.9354000    
 H   0.8925000      -3.717500     -0.1191000    
 H    3.027400      0.9604000       1.707200    
 H    4.616000       1.357900     -5.2499998E-02
 H   -2.865800      0.4941000      -1.654800    
 H  -0.6618000       2.684200      0.7229000    
 H  -0.4543000       3.740500     -0.6242000    
 H    5.813700     -0.7609000     -0.8723000    
 H    4.458400      -1.701100     -0.2492000    
 H    4.223500     -0.5138000      -1.556200    
 H    5.384900       1.093800       2.285300    
 H    6.557100      0.4265000       1.143500    
 H    5.506300     -0.6614000       2.064700    
 H   -5.065900      0.3304000     -0.5373000    
 H   -3.014800     -0.1836000       3.191100    
 H   -5.167900     -1.0200000E-02   1.931000    


%chk=000129207-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129207

0 1
O 0.042602 1.849248 -2.432639
N 3.014489 -0.052014 0.991809
N -1.953101 1.109197 1.350411
N -0.482187 2.803110 -0.384653
C -0.543391 0.309238 -0.533616
C -0.479366 -0.765783 -1.665784
C 0.602058 0.137661 0.525519
C -0.305442 -2.292243 -1.343790
C -1.916197 0.381589 0.181034
C 2.022566 0.418680 -0.004207
C -0.313189 1.723928 -1.223714
C -1.171581 -2.864841 -0.191860
C 1.176821 -2.725125 -1.170490
C 4.441383 0.239294 0.681480
C -3.109063 -0.179386 -0.344516
C -4.327164 -0.024324 0.351159
C 4.922022 -0.604619 -0.519548
C 5.287111 -0.061058 1.935921
C -3.129990 1.246736 2.020765
C -4.345844 0.689721 1.569399
H -1.373610 -0.636346 -2.304753
H 0.352183 -0.469580 -2.330324
H 0.577695 -0.894885 0.913884
H 0.389431 0.801198 1.383758
H -0.651242 -2.798486 -2.271721
H 2.131997 1.506324 -0.236078
H 2.192126 -0.125122 -0.949082
H -0.940692 -2.392502 0.780001
H -0.978179 -3.949237 -0.085129
H -2.252420 -2.735144 -0.375563
H 1.790242 -2.376974 -2.023176
H 1.638734 -2.338597 -0.245084
H 1.245014 -3.829667 -1.139695
H 2.776199 0.304048 1.930360
H 4.579931 1.320091 0.416710
H -3.093069 -0.726176 -1.288650
H -0.829711 2.651526 0.570640
H -0.329007 3.740134 -0.755142
H 5.995686 -0.424006 -0.711771
H 4.772166 -1.678386 -0.304764
H 4.370252 -0.356080 -1.443524
H 4.966156 0.558026 2.796497
H 6.354972 0.149665 1.747929
H 5.181223 -1.124714 2.217315
H -5.247930 -0.457222 -0.054613
H -3.088868 1.834054 2.945640
H -5.267516 0.825252 2.143153


