%chk=000066715.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066715

0 1
 O    1.552000       3.158700     -0.5707000    
 O   -1.999800      -2.667800     -0.7553000    
 O   -5.250000       1.618800      0.4538000    
 O  -0.6073000       2.074500      0.4505000    
 N  -0.8448000     -0.1854000     -0.1346000    
 C    3.324100     -0.5310000      0.2349000    
 C    4.122300      0.5799000     -0.1276000    
 C    1.333100      0.8549000      5.1600002E-02
 C    1.930700     -0.3767000      0.3202000    
 C    2.118000       1.947400     -0.3051000    
 C    3.503700       1.812200     -0.3944000    
 C   -2.250300     -0.3618000     -0.1437000    
 C  -0.1149000      0.9760000      0.1501000    
 C    3.942600      -1.763400      0.5014000    
 C    5.515600      0.4258000     -0.2127000    
 C   -2.790100      -1.599300     -0.4530000    
 C   -3.057400      0.7221000      0.1610000    
 C    5.328400      -1.898700      0.4116000    
 C    6.113400     -0.8060000      5.5500001E-02
 C   -4.443300      0.5637000      0.1564000    
 C   -4.176000      -1.757500     -0.4575000    
 C   -5.002600     -0.6760000     -0.1529000    
 C   -1.590000      -3.497400      0.3297000    
 C   -6.657600       1.386800      0.4306000    
 H    1.343200      -1.234300      0.6411000    
 H    4.104200       2.676000     -0.6745000    
 H    3.349300      -2.631400      0.7815000    
 H    6.149000       1.266200     -0.4894000    
 H  -0.3353000      -1.016700     -0.4215000    
 H   -2.701600       1.710300      0.4099000    
 H    5.794300      -2.857300      0.6201000    
 H    7.192100     -0.9118000     -1.3900000E-02
 H   -4.618000      -2.720600     -0.6987000    
 H   -6.069700     -0.8688000     -0.1751000    
 H   0.5847000       3.089600     -0.5911000    
 H   -1.036300      -2.918800       1.076000    
 H  -0.9327000      -4.277100     -6.4800002E-02
 H   -2.458800      -3.974200      0.7944000    
 H   -7.145300       2.332000      0.6909000    
 H   -6.957100      0.6537000       1.187300    
 H   -7.004000       1.113900     -0.5720000    


%chk=000066715-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066715

0 1
O 1.664497 3.290960 -0.349733
O -1.728357 -2.576202 0.269354
O -5.339716 1.725841 0.034818
O -0.589467 2.172314 -0.148696
N -0.826003 -0.136779 0.060043
C 3.506436 -0.511766 0.021587
C 4.300024 0.695098 -0.140167
C 1.431260 0.840441 -0.074979
C 2.087519 -0.398218 0.048747
C 2.240659 2.044190 -0.230634
C 3.639364 1.949048 -0.262096
C -2.238466 -0.248325 0.105182
C -0.052832 0.997370 -0.055618
C 4.170799 -1.779033 0.148944
C 5.732533 0.575855 -0.168616
C -2.738438 -1.587010 0.220541
C -3.142443 0.829053 0.046537
C 5.562331 -1.860720 0.117567
C 6.347527 -0.669849 -0.043183
C -4.536488 0.575200 0.102312
C -4.119101 -1.826142 0.274968
C -5.032492 -0.743206 0.215984
C -2.152395 -3.971161 0.380702
C -6.789265 1.537207 0.085664
H 1.520539 -1.329718 0.176006
H 4.213497 2.873006 -0.382098
H 3.565279 -2.685595 0.271468
H 6.335453 1.483024 -0.290476
H -0.357653 -1.045670 0.118938
H -2.774645 1.851332 -0.042434
H 6.063077 -2.829798 0.215110
H 7.440382 -0.746069 -0.066402
H -4.506218 -2.845365 0.362909
H -6.105348 -0.947977 0.259394
H 0.641860 3.157456 -0.295924
H -2.719814 -4.139556 1.316118
H -1.223882 -4.560485 0.397536
H -2.768839 -4.268699 -0.489274
H -7.213303 2.549689 0.018082
H -7.102417 1.065054 1.037926
H -7.147653 0.925704 -0.766108


