%chk=000111421.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111421

0 1
 O   -3.813100      1.3000000E-02  0.1633000    
 N   -8.596500      0.3213000      0.8634000    
 C    3.695400     -0.6035000     -0.2834000    
 C    2.349100     -0.4225000      -1.019000    
 C    4.021400      0.6314000      0.5913000    
 C    3.780000      -1.900400      0.5580000    
 C    1.107800     -0.2854000     -0.1280000    
 C    4.098200       1.978000     -0.1408000    
 C  -0.1972000     -0.1694000     -0.9195000    
 C    3.576300      -3.203200     -0.2205000    
 C    4.486000       3.148800      0.7623000    
 C   -1.410400     -0.1392000      1.5900001E-02
 C    3.759800      -4.416400      0.6802000    
 C   -2.721900      9.2000002E-03 -0.7458000    
 C    4.644700       4.434700     -3.5000000E-02
 C   -5.056200      0.1501000     -0.5127000    
 C   -6.179000      0.1467000      0.5158000    
 C   -7.544200      0.3068000     -0.1455000    
 H    4.474200     -0.6696000      -1.055800    
 H    2.406900      0.4475000      -1.683900    
 H    2.200900      -1.274000      -1.694400    
 H    3.297900      0.7090000       1.412100    
 H    4.994000      0.4581000       1.071400    
 H    3.057700      -1.853800       1.382300    
 H    4.771200      -1.935500       1.029800    
 H    1.205800      0.5970000      0.5139000    
 H    1.038300      -1.156300      0.5335000    
 H    4.824700       1.892500     -0.9584000    
 H    3.129700       2.209600     -0.5974000    
 H  -0.1750000      0.7412000      -1.529900    
 H  -0.2885000      -1.019300      -1.606400    
 H    2.568900      -3.238200     -0.6482000    
 H    4.289200      -3.255500      -1.050900    
 H    5.429600       2.926500       1.273800    
 H    3.722300       3.289500       1.535700    
 H   -1.444900      -1.055100      0.6192000    
 H   -1.315200      0.6869000      0.7318000    
 H    4.768900      -4.442200       1.103600    
 H    3.607600      -5.337800      0.1095000    
 H    3.040200      -4.404800       1.505200    
 H   -2.716100      0.9474000      -1.313300    
 H   -2.837300     -0.8239000      -1.449300    
 H    5.428300       4.333100     -0.7927000    
 H    3.710500       4.701000     -0.5396000    
 H    4.919700       5.260200      0.6290000    
 H   -5.186800     -0.6827000      -1.213700    
 H   -5.065100       1.091000      -1.075300    
 H   -6.137300     -0.7864000       1.092600    
 H   -6.006900      0.9539000       1.239700    
 H   -7.724500     -0.5152000     -0.8469000    
 H   -7.581300       1.243400     -0.7121000    
 H   -9.504500      0.3765000      0.4039000    
 H   -8.590300     -0.5578000       1.379000    


%chk=000111421-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111421

0 1
O -3.883060 -0.014203 0.065350
N -8.672031 0.492639 0.955340
C 3.717980 -0.573090 -0.258724
C 2.360085 -0.453040 -1.011767
C 4.031557 0.659850 0.635126
C 3.835805 -1.877455 0.579812
C 1.099044 -0.405879 -0.117515
C 4.122210 2.008958 -0.113821
C -0.205094 -0.289682 -0.939484
C 3.648431 -3.189833 -0.215378
C 4.581665 3.171227 0.796962
C -1.469891 -0.221311 -0.053795
C 3.942636 -4.444786 0.635322
C -2.759616 -0.118985 -0.873688
C 4.668258 4.522767 0.055386
C -5.179205 0.094699 -0.613340
C -6.255421 0.252375 0.465328
C -7.678884 0.326220 -0.124902
H 4.508942 -0.617381 -1.041861
H 2.379865 0.456433 -1.645907
H 2.264327 -1.304170 -1.716230
H 3.272994 0.740176 1.441506
H 4.999992 0.477845 1.147709
H 3.106353 -1.851002 1.416177
H 4.839951 -1.894513 1.054026
H 1.160959 0.452920 0.581226
H 1.046473 -1.316910 0.512414
H 4.829041 1.910603 -0.964864
H 3.138410 2.269234 -0.554129
H -0.151375 0.614971 -1.581321
H -0.277824 -1.156533 -1.630026
H 2.613486 -3.250337 -0.606285
H 4.316185 -3.178632 -1.101802
H 5.571087 2.922434 1.232710
H 3.880632 3.261477 1.652049
H -1.529942 -1.117943 0.593192
H -1.412911 0.654681 0.621124
H 4.985417 -4.437056 1.005468
H 3.796838 -5.373753 0.053516
H 3.276040 -4.490650 1.517554
H -2.733872 0.777829 -1.535480
H -2.886836 -1.016787 -1.522366
H 5.386818 4.468569 -0.784294
H 3.684876 4.808565 -0.363926
H 4.996775 5.335517 0.729272
H -5.363387 -0.816394 -1.229327
H -5.177489 0.973659 -1.299081
H -6.180492 -0.606325 1.162478
H -6.060978 1.166118 1.054318
H -7.851290 -0.576876 -0.763989
H -7.751238 1.207201 -0.792725
H -9.626596 0.675275 0.631438
H -8.642698 -0.252515 1.659024


