%chk=000103368.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103368

0 1
 O   -1.375000       1.345000      0.1221000    
 N    2.869000       1.070500     -2.9600000E-02
 N   -5.723600     -0.6609000      0.3158000    
 N    2.681300      -1.341100      1.6300000E-02
 N    2.867000       3.484700     -6.5800004E-02
 N  -0.4375000       4.717200      3.2400001E-02
 C    2.155500     -0.1436000      1.6700000E-02
 C   0.6432000     -5.0400000E-02  7.1699999E-02
 C    4.345100       1.026500     -8.3600000E-02
 C   2.3399999E-02   1.270600      7.2400004E-02
 C    4.916700     -0.3613000     -8.4799998E-02
 C   -1.539100      -1.072900      0.1700000    
 C    2.243300       2.336100     -2.6000001E-02
 C  -8.6199999E-02  -1.176100      0.1181000    
 C   -2.123500      0.1939000      0.1691000    
 C   0.7357000       2.411600      2.7799999E-02
 C    4.073300      -1.473300     -3.4400001E-02
 C   -4.320400     -0.7976000      0.2664000    
 C   -3.511000      0.3363000      0.2171000    
 C   -2.355200      -2.207200      0.2198000    
 C   -3.743600      -2.067600      0.2679000    
 C   -6.573600      -1.833500      0.3683000    
 C   -6.332600      0.6543000      0.3288000    
 C    6.306500     -0.5429000     -0.1355000    
 C    4.629600      -2.758600     -3.4299999E-02
 C    6.851700      -1.825700     -0.1350000    
 C    6.012400      -2.934500     -8.4100001E-02
 C   -6.746400      -2.402700      -1.025400    
 C   -6.574600       1.119900      -1.092800    
 C   8.8699996E-02   3.683400      3.0500000E-02
 H    4.743300       1.565000      0.7852000    
 H    4.677400       1.539600     -0.9945000    
 H   0.3462000      -2.170300      0.1189000    
 H   -3.899500       1.348200      0.1940000    
 H   -1.922100      -3.204500      0.2216000    
 H   -4.315900      -2.987700      0.3057000    
 H   -6.211000      -2.586600       1.076600    
 H   -7.568000      -1.564000      0.7467000    
 H   -7.306000      0.6061000      0.8343000    
 H   -5.776200       1.392200      0.9153000    
 H    6.969700      0.3175000     -0.1748000    
 H    3.984600      -3.633400      4.8000002E-03
 H    7.928600      -1.959100     -0.1740000    
 H    6.433000      -3.935800     -8.3600000E-02
 H   -7.276000      -1.707900      -1.682800    
 H   -5.798000      -2.651900      -1.509400    
 H   -7.343900      -3.319400     -0.9782000    
 H   -5.658900       1.113400      -1.692100    
 H   -7.315000      0.4970000      -1.601900    
 H   -6.963800       2.143500      -1.087400    
 H    2.251900       4.298800     -5.5500001E-02


%chk=000103368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103368

0 1
O -1.358527 1.272184 0.127426
N 2.850673 1.055033 -0.028471
N -5.783709 -0.675777 0.344488
N 2.721639 -1.366013 0.023257
N 3.040050 3.383995 -0.080782
N -0.403302 4.723889 0.026187
C 2.152243 -0.169072 0.022669
C 0.677348 -0.108879 0.078546
C 4.345577 1.084483 -0.092894
C 0.037873 1.181010 0.077797
C 4.960634 -0.303479 -0.087002
C -1.528294 -1.184137 0.180195
C 2.235882 2.338491 -0.028026
C -0.099519 -1.264796 0.129409
C -2.148995 0.104314 0.176703
C 0.756442 2.370363 0.028804
C 4.131246 -1.459381 -0.030204
C -4.403440 -0.836072 0.270352
C -3.528940 0.298264 0.214516
C -2.410321 -2.303989 0.226102
C -3.796970 -2.146965 0.264606
C -6.691811 -1.846379 0.374722
C -6.397768 0.673203 0.294662
C 6.361127 -0.454391 -0.139317
C 4.723859 -2.749466 -0.026797
C 6.949206 -1.741061 -0.136070
C 6.125017 -2.891099 -0.079526
C -6.965464 -2.479506 -1.010489
C -6.489977 1.281179 -1.125237
C 0.111103 3.640767 0.028183
H 4.707339 1.694582 0.756681
H 4.632216 1.653565 -0.998028
H 0.419890 -2.227837 0.128226
H -3.898695 1.324597 0.200212
H -1.980208 -3.311823 0.225938
H -4.422054 -3.041987 0.288946
H -6.283030 -2.606847 1.066100
H -7.646089 -1.510210 0.818327
H -7.411880 0.589345 0.724444
H -5.835072 1.352632 0.962291
H 7.000103 0.436762 -0.183013
H 4.060192 -3.618846 0.017658
H 8.038917 -1.844220 -0.177049
H 6.575176 -3.889902 -0.076585
H -7.460751 -1.760325 -1.685499
H -6.029978 -2.809973 -1.494033
H -7.626666 -3.358767 -0.901327
H -5.495405 1.357387 -1.596883
H -7.132255 0.667774 -1.780737
H -6.922293 2.297092 -1.073343
H 2.518160 4.281086 -0.077337


