%chk=000055208.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055208

1 1
 O  -0.5568000     -0.1617000      -1.198500    
 N   -3.037800     -0.2923000     -2.7300000E-02
 N   0.5867000     -0.1574000      0.8542000    
 C   -2.983500      -1.516000     -0.9303000    
 C   -4.279800     -0.3633000      0.8495000    
 C   -1.797000     -0.2559000      0.8531000    
 C   -3.090900      0.9664000     -0.8813000    
 C   -2.930800      -2.763700     -7.5999998E-02
 C   -5.509800     -0.3990000     -3.0800000E-02
 C  -0.5323000     -0.1849000      2.7600000E-02
 C   -3.146300       2.217300     -6.7800000E-02
 C    1.945600     -9.2399999E-02  0.4643000    
 C   -2.213300       3.174700     -0.1068000    
 C    2.550600       1.145300      0.3040000    
 C    2.649000      -1.268100      0.2487000    
 C    3.890000       1.208600     -8.0600001E-02
 C    3.988400      -1.204800     -0.1358000    
 C    4.608800      3.3500001E-02 -0.3005000    
 C    1.806800       2.421900      0.5304000    
 C    2.011900      -2.609600      0.4160000    
 C    6.040400      0.1012000     -0.7124000    
 H   -2.133300      -1.487400      -1.609300    
 H   -3.854100      -1.519100      -1.591400    
 H   -4.296900      0.5068000       1.513600    
 H   -4.219700      -1.230800       1.511700    
 H   -1.786800      -1.121400       1.520800    
 H   -1.857600      0.6292000       1.497100    
 H   -2.264600      0.9953000      -1.591200    
 H   -3.966300      0.9118000      -1.535000    
 H   -2.901800      -3.627000     -0.7539000    
 H   -2.027600      -2.856700      0.5306000    
 H   -3.813200      -2.929600      0.5446000    
 H   -6.383400     -0.4513000      0.6326000    
 H   -5.674800      0.4999000     -0.6273000    
 H   -5.593200      -1.284800     -0.6630000    
 H   -4.026700       2.405300      0.5399000    
 H   0.4376000     -0.1431000       1.860800    
 H   -1.326600       3.076700     -0.7225000    
 H   -2.327200       4.078400      0.4819000    
 H    4.378100       2.171800     -0.2102000    
 H    4.553600      -2.117900     -0.3075000    
 H    2.479500       3.286400      0.5480000    
 H    1.080900       2.581100     -0.2726000    
 H    1.285600       2.406200       1.493400    
 H    2.734500      -3.423500      0.2916000    
 H    1.223300      -2.753000     -0.3300000    
 H    1.583500      -2.710500       1.418800    
 H    6.311500     -0.7530000      -1.342000    
 H    6.241600       1.005400      -1.296900    
 H    6.685700      0.1043000      0.1715000    


%chk=000055208-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055208

1 1
O -0.414322 0.015200 -1.266232
N -3.063701 -0.253216 -0.011875
N 0.596757 0.011715 0.849462
C -2.862999 -1.705933 -0.523300
C -4.250557 -0.163140 0.986252
C -1.831323 0.266801 0.742088
C -3.336109 0.642555 -1.279624
C -2.518927 -2.734497 0.558520
C -5.620081 -0.551725 0.420259
C -0.484453 0.070504 0.000437
C -3.663971 2.079006 -0.960007
C 1.990361 -0.030793 0.445080
C -2.835518 3.104598 -1.286736
C 2.840175 1.010819 0.917500
C 2.488182 -1.105143 -0.342083
C 4.206409 0.970489 0.564160
C 3.863668 -1.090891 -0.677013
C 4.739653 -0.069495 -0.238131
C 2.294210 2.144394 1.768884
C 1.609169 -2.249840 -0.805069
C 6.215162 -0.104291 -0.588115
H -2.063223 -1.640812 -1.277611
H -3.801122 -1.971702 -1.037242
H -4.257027 0.878679 1.348963
H -3.984586 -0.813312 1.836819
H -1.822864 -0.224241 1.729152
H -2.003302 1.348941 0.889584
H -2.415022 0.559322 -1.877126
H -4.166647 0.142576 -1.805914
H -2.384188 -3.709744 0.058273
H -1.569511 -2.511458 1.074528
H -3.316484 -2.868713 1.309040
H -6.361544 -0.434617 1.230382
H -5.946258 0.097150 -0.409303
H -5.669622 -1.603149 0.091575
H -4.649986 2.299299 -0.527944
H 0.425973 0.150463 1.851092
H -1.861455 2.931223 -1.761480
H -3.123930 4.146873 -1.113303
H 4.868261 1.771312 0.914448
H 4.261370 -1.909721 -1.288498
H 3.072290 2.902194 1.954391
H 1.442221 2.653079 1.279115
H 1.947499 1.795585 2.763528
H 2.222152 -3.109428 -1.121851
H 0.979529 -1.938768 -1.658908
H 0.932019 -2.595064 -0.000209
H 6.391039 -0.594571 -1.560885
H 6.646373 0.910485 -0.633524
H 6.787764 -0.669697 0.172256


