%chk=000053687.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053687

1 1
 O   -4.295700      -1.105000       2.588000    
 N   -1.079100      -1.059100      0.7701000    
 N   -2.012200      -2.219500      -1.191500    
 N   0.2863000      -2.297700     -0.8630000    
 N    1.790000       1.681200     -0.6441000    
 C   9.7199999E-02 -0.6912000       1.563600    
 C    1.010700      0.1353000      0.7452000    
 C  -0.9401000      -1.830300     -0.3857000    
 C    2.422900     -1.6200000E-02  0.6580000    
 C   0.6515000       1.186800     -6.6200003E-02
 C   -2.401200     -0.6074000       1.209200    
 C    2.887000      0.9657000     -0.2199000    
 C   -1.482800      -3.010800      -2.301800    
 C   3.7300002E-02  -3.063000      -2.084200    
 C  -0.6462000       1.758600     -0.3402000    
 C    3.353800     -0.8971000       1.243600    
 C   -3.030900      -1.599900       2.168800    
 C    4.240900       1.111300     -0.5428000    
 C    4.711200     -0.7634000      0.9299000    
 C    5.145600      0.2261000      5.0099999E-02
 C   -1.131400       2.796900      0.4533000    
 C   -1.411700       1.270000      -1.397700    
 C   -2.385300       3.347800      0.1888000    
 C   -2.665500       1.821000      -1.662400    
 C   -3.152200       2.859900     -0.8691000    
 H  -0.2142000     -0.1308000       2.452900    
 H   0.5654000      -1.615500       1.918300    
 H   -2.308600      0.3658000       1.704800    
 H   -3.055400     -0.4280000      0.3508000    
 H   -1.737000      -2.519400      -3.245100    
 H   -1.927800      -4.009200      -2.275400    
 H   0.3895000      -4.088600      -1.943700    
 H   0.5778000      -2.598800      -2.913800    
 H   -2.987200      -1.999300      -1.013000    
 H    1.180600      -2.176400     -0.4000000    
 H    1.825900       2.458600      -1.289300    
 H    3.034000      -1.674400       1.931600    
 H   -2.404700      -1.739500       3.055300    
 H   -3.171400      -2.577900       1.697800    
 H    4.580000       1.881200      -1.227600    
 H    5.433600      -1.440000       1.378500    
 H    6.204600      0.3120000     -0.1795000    
 H  -0.5462000       3.187300       1.282500    
 H   -1.041100      0.4739000      -2.038300    
 H   -2.764700       4.156300      0.8069000    
 H   -3.261200       1.443000      -2.488100    
 H   -4.850600      -1.009900       1.795100    
 H   -4.128400       3.289000      -1.075300    


%chk=000053687-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000053687

1 1
O -4.495908 -1.031586 2.391351
N -1.160594 -1.239520 0.615956
N -1.635700 -3.051495 -0.911380
N 0.506480 -2.534601 -0.548120
N 1.704714 1.875632 -0.825019
C -0.131045 -0.481284 1.430478
C 0.832794 0.348130 0.622048
C -0.781111 -2.218585 -0.234601
C 2.231814 0.021218 0.393845
C 0.544983 1.505361 -0.129332
C -2.594474 -0.907967 0.830152
C 2.753531 1.000316 -0.524233
C -0.909806 -3.945135 -1.852210
C 0.584859 -3.711094 -1.452629
C -0.700601 2.288243 -0.275574
C 3.102126 -0.998224 0.878632
C -3.220510 -1.650522 2.041792
C 4.094717 0.992272 -0.961391
C 4.440900 -1.013412 0.438003
C 4.930862 -0.032060 -0.472881
C -1.450339 2.681913 0.867420
C -1.152857 2.689577 -1.563476
C -2.631207 3.441416 0.724100
C -2.330417 3.455752 -1.703815
C -3.076590 3.829357 -0.561894
H -0.722441 0.129723 2.130643
H 0.429169 -1.213472 2.042452
H -2.668132 0.176156 1.018514
H -3.169181 -1.096039 -0.097072
H -1.109607 -3.654025 -2.898377
H -1.212882 -4.994745 -1.709733
H 1.012691 -4.579283 -0.922102
H 1.214830 -3.487118 -2.328176
H -2.644474 -3.068690 -0.792169
H 1.321114 -1.962127 -0.299447
H 1.785981 2.730376 -1.375362
H 2.767530 -1.730208 1.624523
H -2.580681 -1.516846 2.930722
H -3.317144 -2.739912 1.849916
H 4.481090 1.751793 -1.649026
H 5.126303 -1.779506 0.815145
H 5.978818 -0.067789 -0.786954
H -1.078729 2.442339 1.870330
H -0.595406 2.382913 -2.456884
H -3.190890 3.748741 1.613669
H -2.666193 3.759596 -2.700900
H -5.237710 -1.412751 1.859573
H -3.987677 4.426569 -0.671108


