%chk=000162415.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162415

0 1
 O    2.025400      -1.799400      0.7838000    
 O   -2.187400      -3.590700     -0.3940000    
 O   -1.105500       2.231100      0.6850000    
 O   -4.176700      -1.952100     -0.5869000    
 O    4.224300     -0.4405000     -0.2934000    
 O    5.262900       1.511500     -0.3653000    
 O    6.515700     -0.3969000     -4.6700001E-02
 N    1.020900      0.7615000      0.9391000    
 C   -1.206200     -0.1105000      0.3252000    
 C   -2.011600      -1.201200     -8.7000001E-03
 C   -3.215600       1.438600      0.1122000    
 C   -4.021100      0.3478000     -0.2215000    
 C   0.1543000     -0.3034000      0.5937000    
 C   -1.778700       1.249400      0.3979000    
 C   -3.448600      -1.012000     -0.2937000    
 C   -1.456600      -2.484800     -7.4600004E-02
 C   0.7033000      -1.584300      0.5272000    
 C  -0.1004000      -2.672600      0.1938000    
 C   -3.770400       2.722400      0.1774000    
 C   -5.381500      0.5408000     -0.4901000    
 C   -5.126600       2.910100     -9.0899996E-02
 C   -5.930400       1.821600     -0.4241000    
 C    2.803900      -2.367400     -0.2666000    
 C    4.227800      -1.856700     -0.1590000    
 C    5.444500      0.1694000     -0.2175000    
 C    6.452700       2.305800     -0.3114000    
 C    6.081700       3.762400     -0.4908000    
 H   0.3296000      -3.670700      0.1524000    
 H   -3.167400       3.589100      0.4345000    
 H   -6.030800     -0.2903000     -0.7522000    
 H   -5.556600       3.906300     -4.0100001E-02
 H   -6.985900       1.970600     -0.6326000    
 H    1.998800      0.5703000       1.115500    
 H   0.6825000       1.711000      0.9977000    
 H    2.788300      -3.458600     -0.1752000    
 H    2.392100      -2.081200      -1.243000    
 H    4.844700      -2.303400     -0.9466000    
 H    4.639700      -2.115900      0.8232000    
 H   -1.613700      -4.375700     -0.3845000    
 H    6.941800       2.165100      0.6589000    
 H    7.134800       1.996300      -1.111000    
 H    6.969700       4.399600     -0.4546000    
 H    5.575200       3.915900      -1.449400    
 H    5.385100       4.081800      0.2914000    


%chk=000162415-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162415

0 1
O 1.921039 -0.796807 0.572793
O -1.848006 -3.156345 -1.511194
O -2.012120 2.274134 1.358397
O -4.223824 -2.009620 -1.363855
O 4.724321 -0.338690 -0.210895
O 6.256274 1.203055 -0.712193
O 6.631869 -0.181149 1.151935
N 0.342315 1.210576 1.277646
C -1.649889 0.126169 0.295892
C -2.216115 -1.001789 -0.423100
C -3.943313 1.221716 0.399353
C -4.506426 0.120312 -0.300098
C -0.248833 0.171011 0.608347
C -2.494074 1.256018 0.718932
C -3.669763 -1.044076 -0.742634
C -1.348011 -2.055086 -0.811728
C 0.581196 -0.935857 0.198130
C 0.043995 -2.016018 -0.498359
C -4.770244 2.303197 0.800366
C -5.893844 0.112884 -0.591374
C -6.146184 2.287993 0.506854
C -6.710171 1.188050 -0.192083
C 2.871070 -1.837907 0.155353
C 4.244335 -1.441611 0.660178
C 5.947467 0.197421 0.173367
C 7.557630 1.902137 -0.444545
C 7.702202 2.966993 -1.524175
H 0.681628 -2.850082 -0.813437
H -4.304884 3.135194 1.337423
H -6.297913 -0.749364 -1.130918
H -6.782773 3.123830 0.816922
H -7.781580 1.176983 -0.420476
H 1.347189 1.187411 1.439937
H -0.283143 1.986224 1.552919
H 2.578292 -2.808548 0.605820
H 2.872335 -1.926528 -0.948513
H 4.945707 -2.293233 0.586641
H 4.208794 -1.101847 1.709890
H -1.115680 -3.794454 -1.714461
H 7.515828 2.329776 0.573230
H 8.366304 1.150033 -0.475840
H 8.647728 3.519371 -1.375357
H 7.719359 2.511392 -2.528539
H 6.867913 3.687229 -1.482052


