%chk=000047693.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047693

0 1
 O   -1.006600       1.477100      -1.749900    
 N   -1.120500      0.2114000      0.2047000    
 N    1.743700     -0.2822000      0.5214000    
 N   -4.710000     -0.7059000     -0.2560000    
 C  -0.5685000     -5.3300001E-02   1.529400    
 C   -2.268300     -0.5791000     -0.2128000    
 C   0.7259000     -0.8538000       1.430500    
 C   -3.573900      8.6700000E-02  0.1963000    
 C    1.753700       1.126600      0.3775000    
 C  -0.5603000       1.161000     -0.6491000    
 C   0.6705000       1.840700     -0.1763000    
 C   -5.970500     -7.1099997E-02  0.1343000    
 C   -4.638800      -2.065300      0.2837000    
 C    2.788200      -1.145000      8.8699996E-02
 C    2.891700       1.863300      0.7627000    
 C   0.7371000       3.230500     -0.3524000    
 C   -6.066600       1.342100     -0.4151000    
 C   -5.781800      -2.921900     -0.2339000    
 C    2.950100       3.249000      0.5995000    
 C    1.874700       3.930900      4.0100001E-02
 C    3.580700     -0.8024000      -1.014800    
 C    3.037900      -2.349100      0.7601000    
 C    4.604700      -1.649000      -1.439500    
 C    4.061900      -3.195600      0.3354000    
 C    4.845300      -2.845500     -0.7644000    
 H   -1.304000     -0.5952000       2.135300    
 H  -0.3967000      0.9033000       2.037500    
 H   -2.235800     -0.6899000      -1.303900    
 H   -2.112500      -1.569500      0.2215000    
 H    1.147400     -0.9496000       2.439200    
 H   0.4461000      -1.856800       1.081100    
 H   -3.596400      0.2354000       1.284200    
 H   -3.573700       1.081100     -0.2634000    
 H   -6.822300     -0.6119000     -0.2909000    
 H   -6.099500     -5.1600002E-02   1.223800    
 H   -3.744000      -2.587600     -6.3199997E-02
 H   -4.629400      -2.074700       1.380800    
 H    3.748700       1.359300       1.205100    
 H  -9.4599999E-02   3.779300     -0.7874000    
 H   -5.436500       2.049000      0.1337000    
 H   -5.809500       1.384200      -1.479200    
 H   -7.096500       1.703700     -0.3155000    
 H   -6.735900      -2.680100      0.2443000    
 H   -5.895400      -2.835600      -1.320100    
 H   -5.581500      -3.976200     -1.0500000E-02
 H    3.838100       3.793600      0.9074000    
 H    1.922200       5.007900     -9.0800002E-02
 H    3.407000      0.1133000      -1.574200    
 H    2.473200      -2.660000       1.633800    
 H    5.212100      -1.378700      -2.298200    
 H    4.253100      -4.125400      0.8634000    
 H    5.642700      -3.504600      -1.094900    


%chk=000047693-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047693

0 1
O -1.459826 1.685055 -1.031233
N -1.123040 -0.002657 0.538205
N 1.807604 -0.378920 0.511844
N -4.854152 -0.762240 0.206985
C -0.382242 -0.478751 1.720457
C -2.355420 -0.697375 0.100975
C 0.912206 -1.214437 1.344572
C -3.639424 -0.085937 0.723888
C 1.751530 1.054520 0.597191
C -0.740380 1.158300 -0.118267
C 0.556069 1.790952 0.319082
C -5.646976 0.078443 -0.728490
C -5.674532 -1.437947 1.245168
C 2.881820 -1.026430 -0.162205
C 2.932331 1.773647 0.936367
C 0.586548 3.208920 0.360626
C -4.886938 0.434256 -2.020784
C -6.522946 -2.598941 0.688987
C 2.940091 3.180218 0.988121
C 1.760872 3.908805 0.696546
C 3.548330 -0.386589 -1.250169
C 3.280044 -2.349739 0.187787
C 4.579270 -1.044730 -1.945758
C 4.310609 -3.001985 -0.524972
C 4.973275 -2.358829 -1.592263
H -1.026652 -1.175969 2.284472
H -0.157129 0.370656 2.391681
H -2.428097 -0.618702 -0.995400
H -2.279703 -1.767685 0.366219
H 1.418711 -1.533188 2.285386
H 0.662517 -2.128892 0.772916
H -3.588279 -0.171508 1.829289
H -3.650638 0.996889 0.485953
H -6.559271 -0.485001 -0.996453
H -5.986418 1.022299 -0.227527
H -4.979573 -1.848238 2.002251
H -6.341475 -0.714823 1.782553
H 3.846472 1.210001 1.149234
H -0.332102 3.742626 0.095961
H -3.969936 1.017483 -1.819997
H -4.600368 -0.485707 -2.561451
H -5.533016 1.040745 -2.682768
H -7.281939 -2.250122 -0.034128
H -5.873399 -3.329246 0.175256
H -7.057236 -3.112076 1.510484
H 3.862524 3.706338 1.258254
H 1.762263 5.003208 0.726765
H 3.240925 0.617486 -1.557580
H 2.804603 -2.872291 1.022888
H 5.068265 -0.532555 -2.782421
H 4.598322 -4.019104 -0.234362
H 5.772605 -2.867431 -2.141136


