%chk=000028981.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028981

0 1
 O   -1.596100       1.666800      0.9405000    
 O    1.219400      -2.376800      0.1341000    
 O    3.409900      -2.827200     -0.3710000    
 N    3.747500       1.393200     -0.2551000    
 N   -4.636400      3.8699999E-02 -0.3522000    
 C    1.767400      0.4446000      0.1402000    
 C    2.433200       1.668700      4.7800001E-02
 C    3.935000      4.0899999E-02 -0.3577000    
 C    2.727500     -0.5734000     -0.1183000    
 C   -3.801500       1.094300      0.2014000    
 C   0.3916000      0.4421000      0.4446000    
 C  -0.2656000       1.661500      0.6448000    
 C    1.789200       2.895400      0.2454000    
 C   -2.380300      0.5981000      0.4150000    
 C   -5.995400      0.5278000     -0.5975000    
 C   -4.670400      -1.119300      0.5444000    
 C   0.4244000       2.868100      0.5462000    
 C    4.781100       2.391500     -0.4385000    
 C    5.256500     -0.5423000     -0.6765000    
 C    2.518000      -1.994300     -0.1359000    
 C   -5.986900       1.730300      -1.525900    
 C   -5.483300      -2.254200     -5.5100001E-02
 C   0.9403000      -3.781400      0.1324000    
 C  -0.5252000      -3.993200      0.4471000    
 H   -3.720200       1.951600     -0.4760000    
 H   -4.204200       1.485400       1.145600    
 H  -0.1340000     -0.4982000      0.5531000    
 H    2.308400       3.844300      0.1726000    
 H   -2.326600     -0.2001000       1.159500    
 H   -1.989000      0.2426000     -0.5478000    
 H   -6.593300     -0.2348000      -1.106900    
 H   -6.511800      0.7872000      0.3354000    
 H   -3.673500      -1.546800      0.6798000    
 H   -5.061500     -0.8614000       1.536600    
 H  -0.1007000       3.807200      0.7044000    
 H    5.575100       2.204300      0.2894000    
 H    5.160300       2.310600      -1.460800    
 H    4.389000       3.396700     -0.2826000    
 H    6.041600      0.1969000     -0.8518000    
 H    5.191200      -1.156100      -1.581400    
 H    5.595000      -1.182200      0.1454000    
 H   -5.657000       2.645200      -1.024100    
 H   -5.361000       1.559600      -2.408700    
 H   -7.005000       1.923500      -1.882700    
 H   -6.560600      -2.067900     -8.2999999E-03
 H   -5.200400      -2.452100      -1.094700    
 H   -5.302800      -3.174600      0.5120000    
 H    1.558100      -4.275600      0.8900000    
 H    1.171900      -4.196500     -0.8546000    
 H  -0.7751000      -3.565400       1.423700    
 H  -0.7748000      -5.057800      0.4529000    
 H   -1.155200      -3.485600     -0.2910000    


%chk=000028981-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028981

0 1
O -1.608601 1.980649 0.342467
O 1.143219 -2.288474 -0.459871
O 3.381986 -2.911399 -0.654707
N 3.940570 1.360462 0.092780
N -4.832544 0.107929 0.107749
C 1.814414 0.489531 -0.008256
C 2.571096 1.688897 0.186748
C 4.075628 -0.006325 -0.154168
C 2.780948 -0.581748 -0.222905
C -3.913555 1.265318 0.247090
C 0.398135 0.543524 0.033761
C -0.214392 1.792887 0.272958
C 1.958135 2.937488 0.425459
C -2.457897 0.798350 0.122028
C -6.089461 0.432954 -0.617422
C -5.064912 -0.603686 1.394681
C 0.553713 2.979497 0.467925
C 5.020236 2.338272 0.239293
C 5.417777 -0.660776 -0.305240
C 2.525720 -1.999863 -0.462806
C -5.882672 0.585751 -2.136220
C -5.395815 -2.096325 1.202540
C 0.786213 -3.714811 -0.699692
C -0.736082 -3.805900 -0.624753
H -4.115065 1.997521 -0.554228
H -4.046300 1.803844 1.214460
H -0.171335 -0.373378 -0.119223
H 2.542725 3.851249 0.574296
H -2.222887 0.019977 0.877175
H -2.278140 0.375777 -0.886043
H -6.801450 -0.394025 -0.441546
H -6.570148 1.356569 -0.205818
H -4.141692 -0.521957 1.998371
H -5.873118 -0.109491 1.991126
H 0.019729 3.917012 0.649169
H 5.994812 1.839092 0.136128
H 4.944396 3.122837 -0.536011
H 4.977168 2.820243 1.233335
H 5.987715 -0.236705 -1.154561
H 5.266567 -1.734910 -0.489751
H 6.036398 -0.544799 0.605722
H -5.175765 1.401114 -2.374890
H -5.478313 -0.349441 -2.561011
H -6.841864 0.818103 -2.635958
H -6.315722 -2.239582 0.607044
H -4.569037 -2.603370 0.674437
H -5.549685 -2.589113 2.180941
H 1.283968 -4.337814 0.065639
H 1.177689 -4.014791 -1.688986
H -1.101468 -3.497142 0.370333
H -1.058556 -4.847979 -0.804350
H -1.208682 -3.161138 -1.386038


