%chk=000045392.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045392

0 1
 I    6.142600      -1.756300     -0.4913000    
 O  -0.8027000     -0.9903000     -4.4900000E-02
 N   -4.458400      -1.461100     -4.9600001E-02
 C   0.1006000     -9.4400004E-02  0.5883000    
 C    1.541600     -0.4891000      0.3288000    
 C  -0.2038000       1.332300      0.1809000    
 C   -2.150400     -0.7098000      0.3099000    
 C   -3.058800      -1.701200     -0.3995000    
 C    2.499800     -0.1958000       1.281000    
 C    1.860900      -1.133600     -0.8519000    
 C   6.8300001E-02   2.359200       1.067300    
 C  -0.7462000       1.576000      -1.068200    
 C   -5.329300      -2.406000     -0.7477000    
 C   -4.648200      -1.563700       1.396900    
 C    3.825300     -0.5597000       1.044000    
 C    3.186400      -1.497600      -1.089000    
 C  -0.2117000       3.673200      0.6922000    
 C   -1.026100       2.890100      -1.443200    
 C    4.168700      -1.210800     -0.1410000    
 C  -0.7588000       3.938700     -0.5629000    
 H  -7.1800001E-02 -0.1986000       1.670000    
 H   -2.215000     -0.8324000       1.396200    
 H   -2.483300      0.3014000      6.5399997E-02
 H   -2.916200      -1.588100      -1.482100    
 H   -2.748100      -2.726600     -0.1571000    
 H    2.244400      0.3058000       2.209500    
 H    1.114000      -1.357600      -1.607400    
 H   0.4891000       2.165100       2.049300    
 H  -0.9359000      0.7837000      -1.786400    
 H   -6.382200      -2.191000     -0.5336000    
 H   -5.124500      -3.444900     -0.4646000    
 H   -5.206700      -2.313400      -1.832700    
 H   -4.231500     -0.7012000       1.926200    
 H   -4.226300      -2.486100       1.812600    
 H   -5.717400      -1.550500       1.642300    
 H    4.574700     -0.3279000       1.796700    
 H    3.432800      -2.002500      -2.019700    
 H  -4.4000000E-03   4.489600       1.377900    
 H   -1.445500       3.097800      -2.423400    
 H  -0.9754000       4.961900     -0.8556000    


%chk=000045392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045392

0 1
I 6.099840 -2.152121 -0.789282
O -0.846757 -0.855928 -0.019984
N -4.507186 -1.624682 0.108812
C 0.128530 0.038453 0.632528
C 1.522879 -0.468031 0.252458
C -0.112419 1.504056 0.264174
C -2.229545 -0.652985 0.441091
C -3.071126 -1.745758 -0.234543
C 2.665331 0.312405 0.558016
C 1.701556 -1.730941 -0.359350
C -0.471258 2.446914 1.256189
C -0.006118 1.926559 -1.085418
C -5.385233 -2.250423 -0.900874
C -4.821435 -2.097367 1.473073
C 3.965819 -0.156076 0.267676
C 2.996516 -2.210906 -0.664438
C -0.711917 3.798052 0.912175
C -0.251634 3.271264 -1.433059
C 4.119071 -1.419950 -0.342994
C -0.602654 4.212426 -0.434151
H 0.006896 -0.059869 1.737930
H -2.262640 -0.730540 1.550202
H -2.603539 0.346761 0.146988
H -2.960083 -1.624461 -1.327394
H -2.650440 -2.748464 0.029564
H 2.546363 1.300548 1.017197
H 0.820806 -2.331338 -0.600124
H -0.563914 2.124324 2.301547
H 0.265247 1.194348 -1.854356
H -6.441932 -2.054475 -0.643757
H -5.253064 -3.359654 -0.983253
H -5.188727 -1.807193 -1.892986
H -4.225871 -1.545991 2.220744
H -4.624811 -3.191540 1.613419
H -5.888067 -1.910820 1.691368
H 4.837977 0.457508 0.510874
H 3.120452 -3.187160 -1.141873
H -0.987126 4.520447 1.688740
H -0.168594 3.589729 -2.478332
H -0.790588 5.257484 -0.704994


