%chk=000093259.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093259

0 1
 O    1.134500       1.523300     -0.8598000    
 N  -0.5024000      0.4805000      0.7107000    
 N   -1.004400     -6.1299998E-02 -0.2956000    
 C    1.883000     -0.1020000      0.8070000    
 C   0.8569000       1.018500      0.4702000    
 C    1.882000      -1.389300     -4.9400002E-02
 C   -2.342300     -0.5780000     -1.5500000E-02
 C    1.062400       2.233700       1.391100    
 C    2.094400      -1.134200      -1.541500    
 C    2.976800      -2.335200      0.4603000    
 C   -3.229600      0.5893000      0.4157000    
 C   -2.876700      -1.214900      -1.297800    
 C   -2.234300      -1.619300       1.098000    
 C   0.2998000       2.588900      -1.293400    
 H    1.742400     -0.3940000       1.856900    
 H    2.888400      0.3373000      0.7383000    
 H   0.9234000      -1.904600      7.9200000E-02
 H   0.2549000       2.967500       1.291900    
 H    2.008400       2.744300       1.178400    
 H    1.068500       1.924600       2.442800    
 H    2.244700      -2.077200      -2.078900    
 H    2.973100     -0.5050000      -1.717900    
 H    1.223400     -0.6539000      -1.995300    
 H    2.960900      -3.282200     -8.9800000E-02
 H    2.829200      -2.566000       1.520700    
 H    3.971800      -1.892200      0.3439000    
 H   -3.231800       1.384800     -0.3387000    
 H   -4.265500      0.2599000      0.5552000    
 H   -2.903700       1.036600       1.361600    
 H   -2.225500      -2.030000      -1.634300    
 H   -2.924700     -0.4825000      -2.111800    
 H   -3.882200      -1.623800      -1.150900    
 H   -1.896200      -1.185800       2.046200    
 H   -3.206400      -2.089000       1.286800    
 H   -1.527600      -2.413600      0.8308000    
 H  -0.7531000       2.431400      -1.046800    
 H   0.3866000       2.657100      -2.381800    
 H   0.6469000       3.540100     -0.8800000    


%chk=000093259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093259

0 1
O 1.147339 1.616800 -0.766866
N -0.319074 0.230389 0.765136
N -1.161661 0.273805 -0.200104
C 2.122617 -0.072753 0.642932
C 0.980243 0.979680 0.541731
C 1.964871 -1.388571 -0.166800
C -2.447860 -0.508286 0.044942
C 1.065100 1.994591 1.707488
C 1.911063 -1.170921 -1.697164
C 3.121471 -2.349582 0.203998
C -3.579611 0.539256 -0.107915
C -2.500067 -1.526635 -1.123914
C -2.519608 -1.217888 1.412182
C 0.326214 2.799889 -1.060658
H 2.231743 -0.336852 1.712406
H 3.049439 0.446857 0.330310
H 1.013421 -1.865127 0.149837
H 0.261157 2.748755 1.649896
H 2.041692 2.508518 1.677874
H 0.965122 1.467115 2.670302
H 1.829540 -2.143386 -2.220405
H 2.830765 -0.666312 -2.049870
H 1.058307 -0.534072 -1.983290
H 3.021667 -3.311164 -0.333089
H 3.142503 -2.565063 1.289393
H 4.099179 -1.910002 -0.074585
H -3.479062 1.081519 -1.064743
H -4.563743 0.037444 -0.089555
H -3.549349 1.275508 0.715754
H -1.690256 -2.272701 -1.031359
H -2.383679 -1.010278 -2.092758
H -3.468852 -2.058355 -1.118512
H -2.447087 -0.494398 2.242793
H -3.480117 -1.758652 1.495301
H -1.693724 -1.940143 1.531845
H -0.749724 2.587328 -0.934368
H 0.532525 3.026850 -2.119216
H 0.623494 3.670636 -0.442446


