%chk=000027434.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027434

0 1
 O  -0.5354000      -2.920600     -0.4161000    
 N   -3.845400      0.8674000      0.7492000    
 N   0.7898000     -0.2815000     -0.6185000    
 C   -2.993800      0.4273000     -0.3826000    
 C   -1.509000      0.3041000      6.6799998E-02
 C   -1.019300       1.615200      0.6979000    
 C   -3.507600     -0.9189000     -0.9380000    
 C   -3.390700       2.148200       1.309900    
 C  -0.5692000     -7.7699997E-02  -1.081500    
 C   -1.954600       2.057200       1.812100    
 C   -5.260100      0.9797000      0.3610000    
 C   -4.983900     -0.8629000      -1.314100    
 C   -5.809400     -0.3498000     -0.1461000    
 C    1.313300      -1.468200     -0.1831000    
 C    1.744300      0.7099000     -0.5511000    
 C    2.626700      -1.244200      0.1830000    
 C    2.913400      0.1305000     -4.9400002E-02
 C    3.499900      -2.329800      0.7117000    
 C   0.6381000      -2.742300     -0.1007000    
 C    2.641900      -3.459800       1.303900    
 C    1.523700      -3.903700      0.3488000    
 C    1.660500       2.064400     -0.8936000    
 C    4.053200      0.9430000      0.1175000    
 C    3.983000       2.299000     -0.2214000    
 C    2.803800       2.849000     -0.7189000    
 C    5.186700       3.164400     -4.6500001E-02
 H   -3.053200       1.174400      -1.187800    
 H   -1.452700     -0.4771000      0.8392000    
 H  -0.9873000       2.412500     -5.1700000E-02
 H  -3.3700000E-02   1.507200       1.155900    
 H   -3.354300      -1.712100     -0.1946000    
 H   -2.952500      -1.208300      -1.835500    
 H   -4.026600       2.428700       2.158600    
 H   -3.471600       2.950600      0.5646000    
 H  -0.5549000      0.7073000      -1.847000    
 H  -0.8758000     -0.9781000      -1.614300    
 H   -1.897800       1.347700       2.647400    
 H   -1.635800       3.032000       2.198700    
 H   -5.391800       1.751000     -0.4095000    
 H   -5.859800       1.282100       1.228400    
 H   -5.332900      -1.857600      -1.612900    
 H   -5.117100     -0.2014000      -2.178900    
 H   -6.853200     -0.2264000     -0.4558000    
 H   -5.801000      -1.088400      0.6654000    
 H    4.117200      -2.723000     -0.1048000    
 H    4.175600      -1.941600       1.481800    
 H    3.279500      -4.315000       1.554400    
 H    2.188300      -3.110700       2.241000    
 H   0.8926000      -4.645600      0.8500000    
 H    1.952000      -4.366200     -0.5478000    
 H   0.7692000       2.505900      -1.322600    
 H    4.974800      0.5157000      0.5037000    
 H    2.761400       3.901600     -0.9903000    
 H    5.786200       3.162800     -0.9622000    
 H    4.901500       4.196300      0.1852000    
 H    5.810400       2.811600      0.7820000    


%chk=000027434-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027434

0 1
O -0.586149 -2.875903 -0.244732
N -3.964361 0.749449 0.756568
N 0.789365 -0.195810 -0.612072
C -3.047207 0.466915 -0.393307
C -1.587604 0.283958 0.128966
C -1.138428 1.500805 0.969839
C -3.539045 -0.786929 -1.162160
C -3.548590 1.934359 1.547415
C -0.608029 0.014618 -1.046699
C -2.132526 1.761588 2.117237
C -5.383969 0.889397 0.337538
C -5.017322 -0.681638 -1.590199
C -5.902082 -0.375781 -0.366387
C 1.322806 -1.389439 -0.070084
C 1.810230 0.756997 -0.634677
C 2.685241 -1.192406 0.255557
C 3.012389 0.158886 -0.100369
C 3.543041 -2.275267 0.858983
C 0.630903 -2.669610 0.076407
C 2.648422 -3.335419 1.550403
C 1.510393 -3.809611 0.615607
C 1.803620 2.100221 -1.084262
C 4.206547 0.930457 -0.017208
C 4.211267 2.264627 -0.460240
C 3.000552 2.828279 -0.992173
C 5.465266 3.119664 -0.386860
H -3.055822 1.344367 -1.104270
H -1.594441 -0.615485 0.775718
H -1.087625 2.401366 0.320450
H -0.120384 1.334886 1.367380
H -3.394128 -1.671537 -0.512850
H -2.913301 -0.939197 -2.060201
H -4.279398 2.067840 2.367774
H -3.579051 2.868933 0.922853
H -0.616408 0.867545 -1.751917
H -0.918859 -0.891118 -1.587279
H -2.127244 0.905973 2.819524
H -1.845528 2.667567 2.685184
H -5.515586 1.767864 -0.351776
H -5.983469 1.096788 1.244608
H -5.335960 -1.619288 -2.083941
H -5.132915 0.132556 -2.336407
H -6.957867 -0.228045 -0.665598
H -5.865820 -1.224588 0.343196
H 4.151672 -2.765341 0.068929
H 4.262805 -1.845344 1.581644
H 3.258496 -4.203126 1.864777
H 2.206844 -2.895766 2.465878
H 0.843929 -4.532598 1.118704
H 1.943030 -4.333775 -0.263280
H 0.900211 2.568098 -1.487449
H 5.122736 0.484271 0.387842
H 3.016183 3.870304 -1.335653
H 5.771711 3.474597 -1.389278
H 5.305473 4.017582 0.240096
H 6.312589 2.558066 0.043050


