%chk=000067277.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067277

0 1
 O   0.5696000      -1.719600      -1.032700    
 O   0.1123000       2.199700     -0.4710000    
 O   -6.780800     -0.8849000      0.4024000    
 O   -5.187900      -2.381200      0.6084000    
 N  -0.9224000      0.1374000     -4.4799998E-02
 N   -5.566700      -1.202000      0.4072000    
 C    3.864400      0.4849000      0.2661000    
 C    4.020800     -0.8639000     -0.1330000    
 C    1.484000      0.3386000     -0.2141000    
 C    2.589200       1.071400      0.2197000    
 C    1.637700     -0.9877000     -0.6067000    
 C    2.897400      -1.586300     -0.5670000    
 C    4.987900       1.207200      0.7002000    
 C   0.1772000      0.9810000     -0.2483000    
 C    5.295900      -1.450500     -8.6599998E-02
 C   -2.299400      0.4699000     -4.6900000E-02
 C    6.247400      0.6083000      0.7405000    
 C    6.401000     -0.7179000      0.3478000    
 C   -3.236100     -0.5241000      0.1786000    
 C   -2.677000       1.782500     -0.2735000    
 C   -4.591800     -0.1957000      0.1773000    
 C   -4.032500       2.110900     -0.2747000    
 C   -4.990000       1.121900     -4.9199998E-02
 H    2.467800       2.107300      0.5328000    
 H    3.009600      -2.624400     -0.8755000    
 H    4.891600       2.245300       1.011900    
 H    5.439800      -2.485800     -0.3887000    
 H  -0.7346000     -0.8431000      0.1498000    
 H    7.108200       1.178000       1.078400    
 H    7.381800      -1.183500      0.3792000    
 H   -2.900300      -1.543500      0.3526000    
 H   -1.999400       2.603000     -0.4554000    
 H   -4.343700       3.136600     -0.4511000    
 H   -6.036800       1.414700     -5.7200000E-02
 H   0.8680000      -2.616600      -1.260800    


%chk=000067277-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000067277

0 1
O 0.533778 -2.023334 -0.228983
O 0.107398 2.199698 0.243742
O -6.933490 -0.866725 -0.294996
O -5.261683 -2.412521 -0.399363
N -0.985290 0.139064 -0.017262
N -5.685415 -1.195990 -0.290031
C 3.946744 0.487528 0.153147
C 4.124767 -0.940741 -0.014338
C 1.480283 0.213660 0.056774
C 2.622762 1.017071 0.182539
C 1.684224 -1.205618 -0.105781
C 2.961658 -1.763895 -0.140730
C 5.103741 1.326043 0.282835
C 0.151747 0.936151 0.103033
C 5.453144 -1.477821 -0.046892
C -2.337859 0.550553 -0.013303
C 6.386827 0.776887 0.248039
C 6.560368 -0.635315 0.081638
C -3.317061 -0.468418 -0.144683
C -2.756154 1.908352 0.110438
C -4.678246 -0.113959 -0.150832
C -4.132433 2.221564 0.099625
C -5.118126 1.222361 -0.030690
H 2.456927 2.093462 0.305312
H 3.087118 -2.847977 -0.265763
H 4.963319 2.405691 0.409186
H 5.591798 -2.557920 -0.173637
H -0.801218 -0.871094 -0.125381
H 7.266286 1.421562 0.347365
H 7.572539 -1.053597 0.055823
H -3.042229 -1.523362 -0.241478
H -1.997163 2.685813 0.211817
H -4.437050 3.268813 0.195159
H -6.186919 1.447347 -0.040976
H 0.767106 -2.975433 -0.345653


