%chk=000047288.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047288

0 1
 O   -4.310200      -1.506900       1.091800    
 N   -4.304500      -1.528200      -1.201300    
 C    1.150500      0.3487000      1.6000000E-03
 C   0.4585000     -0.8872000      1.1500000E-02
 C  -0.9471000     -0.9217000      1.6100001E-02
 C   -1.712500      0.2521000      1.1900000E-02
 C   -1.052600       1.494300      3.1999999E-03
 C    2.591500      0.3470000     -3.5000001E-03
 C   0.3551000       1.523200     -1.9000000E-03
 C    3.283000     -0.8926000      2.4999999E-03
 C    1.174400      -2.087300      1.6700000E-02
 C   -3.117400      0.2162000      1.6799999E-02
 C    2.565000      -2.090400      1.2400000E-02
 C   -1.610000      -2.275200      2.6900001E-02
 C   -1.815000       2.675200     -3.9999999E-04
 C    3.389800       1.518700     -1.4700000E-02
 C   -3.860100       1.396600      1.3100000E-02
 C    4.687900     -0.9292000     -1.9000000E-03
 C   -3.209200       2.625700      4.4000000E-03
 C    4.786400       1.468400     -1.9099999E-02
 C    5.435800      0.2439000     -1.2700000E-02
 C   -3.939200     -0.9914000      2.6400000E-02
 H   0.8334000       2.501200     -8.8999998E-03
 H   0.7628000      -3.085100      7.1000000E-03
 H    3.084400      -3.047300      1.3300000E-02
 H   -2.229100      -2.387100      0.9176000    
 H   -2.125900      -2.457100     -0.9166000    
 H  -0.9920000      -3.161900      0.1257000    
 H   -1.326600       3.647500     -7.0000002E-03
 H    2.937600       2.507100     -2.0199999E-02
 H   -4.947500       1.377200      1.7500000E-02
 H    5.216500      -1.880800      2.7999999E-03
 H   -3.784900       3.546600      1.6000000E-03
 H    5.361400       2.389800     -2.7600000E-02
 H    6.520500      0.1996000     -1.6200000E-02
 H   -4.014400      -1.111300      -2.080200    
 H   -4.878700      -2.362800      -1.255800    


%chk=000047288-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047288

0 1
O -3.842266 -1.723277 1.320874
N -5.070060 -1.263249 -0.594099
C 1.205912 0.291541 -0.044206
C 0.527147 -0.997096 -0.097096
C -0.898489 -1.080603 -0.199896
C -1.687675 0.120070 -0.136455
C -0.995586 1.404685 -0.155291
C 2.675182 0.347391 0.052856
C 0.420762 1.454394 -0.117284
C 3.425579 -0.879218 0.099341
C 1.344775 -2.197354 -0.036022
C -3.142172 0.159829 -0.086248
C 2.718988 -2.141688 0.060615
C -1.545503 -2.436790 -0.432254
C -1.740250 2.632363 -0.232877
C 3.401168 1.574651 0.109510
C -3.824258 1.382396 -0.178571
C 4.849078 -0.843468 0.193552
C -3.128700 2.627138 -0.272828
C 4.802068 1.593992 0.200107
C 5.536556 0.376630 0.241697
C -4.010009 -1.028493 0.273925
H 0.889504 2.443124 -0.144173
H 0.856041 -3.174550 -0.035186
H 3.305147 -3.066675 0.119430
H -1.809431 -2.937293 0.517111
H -2.478979 -2.341211 -1.009707
H -0.883375 -3.099887 -1.011473
H -1.185014 3.577456 -0.258059
H 2.868008 2.529777 0.087003
H -4.917958 1.389025 -0.107578
H 5.399540 -1.791173 0.229296
H -3.693930 3.562543 -0.335435
H 5.331457 2.552235 0.241483
H 6.629324 0.396113 0.313546
H -5.172762 -0.744264 -1.464407
H -5.742218 -1.993563 -0.358300


