%chk=000152456.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152456

0 1
 O   -1.504000       3.234800     -0.4490000    
 O   -2.582000     -0.5748000      -1.316600    
 O   -3.160400       1.724600      6.4400002E-02
 O  -0.8223000      -1.977500       2.197700    
 N   -1.341100     -0.2584000      0.6366000    
 N    2.370300      -1.957900      -1.021500    
 C  -9.9999998E-03  0.8084000      -1.140900    
 C  -0.8545000       1.005100      0.1418000    
 C    1.139300     -0.1108000      -1.015000    
 C    2.466200      0.2376000     -0.6372000    
 C    3.218100     -0.9392000     -0.6492000    
 C    1.111900      -1.467100      -1.244900    
 C   -1.976200       2.012800     -7.4600004E-02
 C    3.101700       1.444900     -0.2850000    
 C   -2.211500      -1.098700     -0.1600000    
 C    4.579200     -0.9691000     -0.3253000    
 C  -0.9182000     -0.7881000       1.893500    
 C    4.462600       1.430200      4.1299999E-02
 C    5.188200      0.2406000      2.0800000E-02
 C   -2.678600      -2.305700      0.1137000    
 C   -3.465800      -2.620000      -1.019800    
 C  -0.5633000      0.2489000       2.907900    
 C   -3.374600      -1.535400      -1.860600    
 C   -2.496900       4.237100     -0.6907000    
 C   0.3217000     -2.2500001E-02   3.872300    
 H   0.3704000       1.790600      -1.455300    
 H  -0.6302000      0.4980000      -1.989400    
 H  -0.1849000       1.462300      0.8775000    
 H   0.3159000      -2.130000      -1.553400    
 H    2.639100      -2.927500      -1.117400    
 H    2.550800       2.380800     -0.2619000    
 H    5.144800      -1.894600     -0.3409000    
 H    4.957900       2.358300      0.3143000    
 H    6.244300      0.2521000      0.2780000    
 H   -2.547300      -2.944000      0.9730000    
 H   -4.031800      -3.522500      -1.200000    
 H   -1.056900       1.213600       2.874200    
 H   -3.792000      -1.303100      -2.829500    
 H   -1.985700       5.158600     -0.9814000    
 H   -3.072700       4.427100      0.2201000    
 H   -3.155500       3.928000      -1.508000    
 H   0.5623000      0.7296000       4.616100    
 H   0.8276000     -0.9789000       3.944600    


%chk=000152456-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000152456

0 1
O -1.572213 3.012265 -0.832904
O -2.842614 -0.334622 -1.208089
O -2.909048 2.083646 0.829239
O -1.233654 -2.104307 2.199988
N -1.397614 -0.334958 0.679361
N 2.547288 -1.979201 -0.637011
C -0.013844 0.707496 -1.176626
C -0.820472 0.927184 0.146213
C 1.198995 -0.159496 -0.953659
C 2.546469 0.303820 -0.660396
C 3.372026 -0.861115 -0.465981
C 1.243338 -1.554462 -0.926465
C -1.904270 2.023852 0.091684
C 3.138711 1.590613 -0.549135
C -2.266602 -1.070841 -0.150369
C 4.749344 -0.771899 -0.166410
C -1.009569 -0.884664 1.929774
C 4.511524 1.686586 -0.249367
C 5.308160 0.517991 -0.058973
C -2.760508 -2.370103 -0.153633
C -3.693939 -2.452030 -1.259921
C -0.388753 0.044853 2.923564
C -3.720970 -1.218426 -1.879643
C -2.520252 4.152910 -0.909414
C 0.249836 -0.445475 4.017478
H 0.286657 1.705981 -1.536736
H -0.684913 0.285371 -1.941529
H -0.079620 1.274910 0.887452
H 0.439437 -2.272262 -1.083035
H 2.841031 -2.949299 -0.549268
H 2.540540 2.497080 -0.700188
H 5.366441 -1.665826 -0.021474
H 4.981967 2.672382 -0.161914
H 6.373585 0.625920 0.173196
H -2.493402 -3.143399 0.557532
H -4.268737 -3.328713 -1.552292
H -0.527924 1.125472 2.808553
H -4.239660 -0.795702 -2.734393
H -2.095972 4.818597 -1.673633
H -2.589111 4.657167 0.068998
H -3.519667 3.791493 -1.202407
H 0.656473 0.217019 4.788571
H 0.357411 -1.527609 4.153563


