%chk=000021914.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021914

0 1
 O   -5.311100      0.5978000     -6.1000001E-02
 N    5.298400      0.2912000     -0.7299000    
 N    5.811400     -0.9566000     -0.7828000    
 C   -3.136300     -0.4264000      0.3935000    
 C   -2.423100      0.8882000     -9.8000001E-03
 C  -0.9684000       1.011600      0.4981000    
 C  -0.1048000     -0.2363000      0.1841000    
 C   -4.385800     -0.3886000     -0.5402000    
 C   -2.224800      -1.646800      0.1112000    
 C    1.386400     -0.1159000      0.6894000    
 C   -2.603100      0.9632000      -1.538400    
 C  -0.8174000      -1.506600      0.6918000    
 C   -3.832100      0.1118000      -1.882300    
 C  -0.3035000       2.287800     -3.9600000E-02
 C   -3.530100     -0.4064000       1.883800    
 C    1.965800       1.277500      0.2746000    
 C    1.090500       2.476900      0.5403000    
 C    2.201100      -1.351800      0.1036000    
 C   -5.149500      -1.702800     -0.6768000    
 C    1.486500     -0.1916000       2.234100    
 C    3.202200       1.455400     -0.2414000    
 C    3.599200     -0.9976000     -0.2276000    
 C    3.982400      0.3043000     -0.3963000    
 C    4.766100      -1.738300     -0.4783000    
 H   -2.982000       1.736000      0.4149000    
 H   -1.029400       1.112000       1.590200    
 H  -5.0299998E-02 -0.3178000     -0.9114000    
 H   -2.125000      -1.817200     -0.9675000    
 H   -2.682600      -2.556900      0.5189000    
 H   -1.734700      0.5793000      -2.083100    
 H   -2.747600       2.001500      -1.857600    
 H  -0.8771000      -1.505300       1.784700    
 H  -0.2475000      -2.400300      0.4147000    
 H   -4.564100      0.7061000      -2.440400    
 H   -3.522200     -0.7206000      -2.524800    
 H  -0.9169000       3.160900      0.2140000    
 H  -0.2343000       2.255100      -1.134000    
 H   -4.144100      0.4658000       2.132800    
 H   -4.102300      -1.301500       2.149700    
 H   -2.655400     -0.3685000       2.539900    
 H    1.022900       2.644000       1.621800    
 H    1.527500       3.388900      0.1152000    
 H    1.733800      -1.699300     -0.8275000    
 H    2.181200      -2.199500      0.7988000    
 H   -6.022100      -1.576400      -1.328000    
 H   -4.533400      -2.502700      -1.097600    
 H   -5.534400      -2.033400      0.2938000    
 H   0.8619000      0.5574000       2.730400    
 H    1.182400      -1.172300       2.614600    
 H    2.517900     -2.9100001E-02   2.570400    
 H   -6.049000      0.6513000     -0.6921000    
 H    3.594600       2.434900     -0.4901000    
 H    4.904900      -2.809800     -0.4602000    
 H    5.912000       1.073000     -0.9259000    


%chk=000021914-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021914

0 1
O -5.318167 0.631444 0.049573
N 5.505820 0.239899 -0.461852
N 5.966114 -1.075630 -0.498044
C -3.164143 -0.426628 0.418797
C -2.457835 0.899828 -0.026802
C -0.991243 1.044041 0.466292
C -0.120515 -0.198894 0.126856
C -4.430338 -0.433359 -0.510376
C -2.243159 -1.640210 0.085149
C 1.391497 -0.085368 0.577864
C -2.660726 0.959661 -1.577022
C -0.815829 -1.481774 0.654759
C -3.886584 0.045646 -1.888231
C -0.346947 2.338006 -0.079988
C -3.538948 -0.426673 1.917862
C 1.964489 1.312282 0.216881
C 1.080256 2.518716 0.479029
C 2.181426 -1.253525 -0.127552
C -5.223642 -1.748185 -0.574301
C 1.561292 -0.230871 2.125639
C 3.270488 1.482839 -0.170436
C 3.664067 -1.000546 -0.209511
C 4.133883 0.324084 -0.288362
C 4.818585 -1.820949 -0.348133
H -3.037725 1.733620 0.416284
H -1.030462 1.136164 1.574778
H -0.089898 -0.274620 -0.984234
H -2.167899 -1.772736 -1.013166
H -2.695068 -2.568516 0.486768
H -1.764395 0.595768 -2.113084
H -2.830264 1.998371 -1.909230
H -0.863505 -1.451906 1.760230
H -0.226333 -2.379554 0.388346
H -4.676008 0.577941 -2.451891
H -3.588199 -0.822557 -2.504928
H -0.971853 3.212497 0.190918
H -0.306261 2.297176 -1.186403
H -4.239153 0.395530 2.136844
H -4.025537 -1.376998 2.209761
H -2.645485 -0.305059 2.556755
H 0.999796 2.680780 1.576318
H 1.554472 3.428190 0.063430
H 1.781252 -1.375748 -1.157926
H 1.973037 -2.201115 0.402120
H -6.081967 -1.648566 -1.267451
H -4.603739 -2.586496 -0.937300
H -5.622163 -2.010268 0.421846
H 0.996756 0.540345 2.679703
H 1.215743 -1.221473 2.471055
H 2.628154 -0.134840 2.396455
H -6.087040 0.739171 -0.566081
H 3.664335 2.490885 -0.352705
H 4.897716 -2.907114 -0.350448
H 6.186553 0.992893 -0.530157


