%chk=000047512.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047512

0 1
 O   -1.220600      7.4999998E-03   1.424500    
 N   4.9899999E-02 -4.8000002E-03 -0.5510000    
 N   -2.250900     -7.7999998E-03 -0.6685000    
 N   -4.453100     -1.2300000E-02  -1.417600    
 N   -3.935700      3.5999999E-03  0.9204000    
 C    1.381000     -6.0000003E-04 -7.2300002E-02
 C    2.020100       1.209500      0.1559000    
 C    2.026100      -1.206700      0.1604000    
 C    1.340600       2.517600     -9.0099998E-02
 C    1.352800      -2.519100     -7.9800002E-02
 C    3.333000       1.213600      0.6269000    
 C    3.339000      -1.202300      0.6316000    
 C    3.992400      7.7999998E-03  0.8649000    
 C    1.554800       3.020900      -1.514000    
 C    1.569500      -3.027700      -1.501400    
 C   -1.131800     -1.4000000E-03  0.1999000    
 C   -3.610200     -5.5000000E-03 -0.3312000    
 C   -5.356700      7.7999998E-03   1.241500    
 H   0.2683000       2.461500      0.1265000    
 H    1.726900       3.268500      0.6118000    
 H   0.2802000      -2.467000      0.1367000    
 H    1.742600      -3.265000      0.6254000    
 H    3.856100       2.148400      0.8110000    
 H    3.866700      -2.133700      0.8193000    
 H    5.015100      1.1100000E-02   1.230500    
 H  -4.8099998E-02 -0.3633000      -1.498000    
 H    2.619800       3.153700      -1.732400    
 H    1.057400       3.986200      -1.651900    
 H    1.145200       2.320100      -2.249100    
 H    1.159500      -2.333000      -2.241600    
 H    1.075600      -3.995400      -1.634900    
 H    2.635200      -3.158600      -1.717700    
 H   -2.043100     -9.6000005E-03  -1.663300    
 H   -4.087400     -1.9099999E-02  -2.363700    
 H   -5.462000     -1.1400000E-02  -1.318700    
 H   -5.853800      0.9020000      0.8511000    
 H   -5.475100      1.6100001E-02   2.329500    
 H   -5.855900     -0.8910000      0.8647000    


%chk=000047512-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047512

0 1
O -1.159808 0.944153 1.092415
N 0.071057 -0.178279 -0.583314
N -2.201047 0.233729 -0.908006
N -4.403370 0.973775 -1.246448
N -3.880205 -0.622952 0.519396
C 1.392635 -0.065100 -0.023563
C 1.993113 1.211694 0.191303
C 2.093462 -1.272789 0.275703
C 1.306606 2.521064 -0.174318
C 1.454265 -2.638622 0.055574
C 3.302058 1.246605 0.733613
C 3.409447 -1.187467 0.789003
C 4.014363 0.064280 1.025368
C 1.200185 2.748656 -1.706498
C 1.603570 -3.163698 -1.400124
C -1.098789 0.365897 -0.021280
C -3.557100 0.164947 -0.466328
C -5.244267 -0.578309 1.072056
H 0.301661 2.562973 0.281663
H 1.885778 3.354683 0.265723
H 0.382764 -2.606496 0.331270
H 1.929501 -3.368755 0.736079
H 3.767842 2.222676 0.915349
H 3.949105 -2.112456 1.026199
H 5.027349 0.119078 1.439089
H -0.065881 -0.926329 -1.266585
H 2.201100 2.768181 -2.174998
H 0.701093 3.711703 -1.921856
H 0.616195 1.943972 -2.187386
H 1.134597 -2.487728 -2.142109
H 1.134056 -4.158261 -1.510163
H 2.669906 -3.251029 -1.675222
H -2.022920 0.122356 -1.908430
H -4.032435 1.817758 -1.679720
H -5.411476 0.901580 -1.128680
H -5.737265 0.420922 1.017961
H -5.200829 -0.872264 2.134618
H -5.902917 -1.309549 0.557945


