%chk=000044262.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044262

0 1
 O    2.827500      -1.251100       1.083900    
 O    5.316900      -1.743700      -1.440200    
 O    6.934000      -2.603000     -0.1006000    
 N    2.351700      0.7429000     -6.5700002E-02
 N    4.534700      7.4699998E-02  0.2644000    
 C   -1.868100      0.7382000     -3.9799999E-02
 C   -1.122000     -0.4660000     -3.7599999E-02
 C   -1.168500       1.997900     -5.1800001E-02
 C   0.2508000       2.002200     -6.0100000E-02
 C   0.9511000      0.7940000     -5.7399999E-02
 C   -3.280900      0.6113000     -2.8800000E-02
 C   0.2746000     -0.4211000     -4.6599999E-02
 C   -3.937400     -0.6344000     -1.7000001E-02
 C   -3.170300      -1.813300     -1.6200000E-02
 C   -1.772600      -1.712200     -2.6300000E-02
 C   -1.806700       3.263900     -5.6499999E-02
 C   0.9634000       3.213500     -7.1400002E-02
 C   -5.339800     -0.7293000     -5.9000002E-03
 C   -3.819100      -3.059800     -4.9000001E-03
 C   -1.086400       4.461500     -6.8000004E-02
 C   0.2994000       4.436200     -7.5199999E-02
 C   -5.971700      -1.973100      5.2999998E-03
 C   -5.211500      -3.137800      5.7999999E-03
 C    3.190200     -0.2413000      0.4853000    
 C    5.625100     -0.7567000      0.7195000    
 C    6.035400      -1.793400     -0.2944000    
 H   -3.904900       1.503500     -2.9200001E-02
 H   0.8137000      -1.364100     -9.2200004E-02
 H   -1.178100      -2.626600     -2.4700001E-02
 H   -2.890400       3.347200     -5.0999999E-02
 H    2.047400       3.267700     -6.3100003E-02
 H   -5.953900      0.1690000     -6.2000002E-03
 H   -3.242800      -3.982700     -4.0000002E-03
 H    2.842100       1.578400     -0.3636000    
 H   -1.614000       5.410900     -7.0200004E-02
 H   0.8629000       5.364300     -8.0600001E-02
 H   -7.056100      -2.031000      1.3700000E-02
 H   -5.701100      -4.107100      1.4600000E-02
 H    4.758800      0.9106000     -0.2664000    
 H    5.329900      -1.267200       1.640800    
 H    6.476800     -9.7499996E-02  0.9090000    
 H    5.602800      -2.427300      -2.083000    


%chk=000044262-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044262

0 1
O 2.770579 -1.871992 0.188978
O 6.997081 0.462959 -0.205871
O 7.948809 -1.643391 0.061732
N 2.316221 0.438331 -0.130309
N 4.514666 -0.359242 -0.065420
C -1.999568 0.646922 -0.048702
C -1.307731 -0.622819 0.106938
C -1.190278 1.862136 -0.234637
C 0.250473 1.780173 -0.259184
C 0.896837 0.468017 -0.097883
C -3.408855 0.651983 -0.013468
C 0.133034 -0.674785 0.076570
C -4.167981 -0.537437 0.168711
C -3.471739 -1.805217 0.324293
C -2.053406 -1.809576 0.288331
C -1.797521 3.143185 -0.393520
C 0.999469 2.984234 -0.440151
C -5.605635 -0.525790 0.204114
C -4.245254 -3.004545 0.508647
C -1.040910 4.309865 -0.570729
C 0.374902 4.230006 -0.594146
C -6.325681 -1.705593 0.384529
C -5.637667 -2.957527 0.538379
C 3.159288 -0.677247 0.010275
C 5.500024 -1.428290 0.065083
C 6.930478 -0.930938 -0.019532
H -3.964231 1.588971 -0.127670
H 0.635531 -1.637081 0.194093
H -1.516205 -2.758698 0.404736
H -2.887680 3.227827 -0.377804
H 2.096033 2.976757 -0.463388
H -6.129770 0.430527 0.086210
H -3.718897 -3.959303 0.626100
H 2.775757 1.336156 -0.275381
H -1.540722 5.276854 -0.689916
H 0.978227 5.133671 -0.730741
H -7.420729 -1.685821 0.410034
H -6.217360 -3.876471 0.679387
H 4.870273 0.588585 -0.198714
H 5.362166 -2.200908 -0.717209
H 5.383088 -1.966901 1.026349
H 7.947783 0.750614 -0.255414


