%chk=000078552.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078552

1 1
 O    1.911600       2.059500       2.294700    
 N   -3.539400     -0.7749000      0.1110000    
 N   0.1450000     -0.2737000     -0.4113000    
 N    2.559200      8.6999997E-02   1.249900    
 C   -2.189600     -0.2027000      0.3413000    
 C   -3.539800      -2.288900      0.3635000    
 C   -4.570700     -0.1343000       1.050100    
 C   -1.185100     -0.8629000     -0.5866000    
 C   -3.995100     -0.5322000      -1.334500    
 C   -3.093500      -2.557200       1.784200    
 C   -4.647900       1.350100      0.7671000    
 C    1.265200      -1.124800     -0.5230000    
 C   0.2619000       1.112200     -0.6057000    
 C    2.447400     -0.9162000      0.2220000    
 C    1.176600       1.866100      0.1337000    
 C    1.224000      -2.218600      -1.424300    
 C  -0.4943000       1.783400      -1.590200    
 C    1.888100       1.318800       1.306400    
 C    3.529300      -1.807600      2.4800001E-02
 C    1.338400       3.242000     -0.1147000    
 C    2.305300      -3.078300      -1.600800    
 C  -0.3307000       3.147900      -1.838000    
 C    3.477400     -0.2026000       2.360400    
 C    3.463500      -2.869100     -0.8767000    
 C   0.5929000       3.877000      -1.103400    
 H   -2.246400      0.8647000      0.1247000    
 H   -1.910600     -0.2840000       1.397000    
 H   -4.569300      -2.638700      0.2178000    
 H   -2.920300      -2.796800     -0.3806000    
 H   -5.536600     -0.6254000      0.8894000    
 H   -4.251300     -0.2690000       2.085900    
 H   -1.112100      -1.918000     -0.3067000    
 H   -1.464800     -0.8351000      -1.643800    
 H   -3.712600      0.4767000      -1.646900    
 H   -3.520800      -1.268900      -1.989700    
 H   -5.079700     -0.6710000      -1.386900    
 H   -3.103700      -3.643800       1.938600    
 H   -2.067800      -2.247700       1.996000    
 H   -3.761300      -2.156700       2.549100    
 H   -5.441000       1.776700       1.393900    
 H   -3.740000       1.893300       1.041600    
 H   -4.919900       1.596600     -0.2616000    
 H   0.3428000      -2.400700      -2.036800    
 H   -1.204200       1.248900      -2.216100    
 H    4.465500      -1.687400      0.5650000    
 H    2.040800       3.835400      0.4665000    
 H    2.240400      -3.899500      -2.307800    
 H  -0.9191000       3.633600      -2.610800    
 H    4.501700      1.5000000E-02   2.042000    
 H    3.378900      -1.246700       2.674800    
 H    3.262200      0.4210000       3.233200    
 H    4.317000      -3.527700      -1.005700    
 H   0.7254000       4.938200      -1.290300    


%chk=000078552-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078552

1 1
O 1.848253 2.305982 2.099936
N -3.583857 -0.705974 0.210554
N 0.159430 -0.341451 -0.556895
N 2.285902 0.160145 1.334018
C -2.083250 -0.355581 0.331477
C -3.806744 -2.243613 0.162698
C -4.344290 -0.123429 1.437793
C -1.144109 -0.995101 -0.722359
C -4.161571 -0.115082 -1.073854
C -3.318690 -3.021282 1.389608
C -4.351273 1.406139 1.540985
C 1.361476 -1.141446 -0.586090
C 0.306376 1.043370 -0.928875
C 2.420748 -0.845737 0.319511
C 1.158688 1.875125 -0.152400
C 1.502175 -2.200337 -1.515542
C -0.373485 1.584957 -2.050578
C 1.773111 1.456897 1.155724
C 3.599377 -1.636079 0.268484
C 1.326433 3.233323 -0.526646
C 2.667529 -2.994465 -1.538388
C -0.194768 2.937889 -2.410222
C 2.925405 -0.101710 2.651615
C 3.721882 -2.702891 -0.644313
C 0.666789 3.764923 -1.652441
H -2.015822 0.740960 0.251738
H -1.754261 -0.648973 1.341190
H -4.892509 -2.381895 0.014052
H -3.294983 -2.594158 -0.749179
H -5.374147 -0.516868 1.362972
H -3.867561 -0.564106 2.327895
H -1.005242 -2.069915 -0.519738
H -1.562237 -0.903428 -1.749071
H -3.868282 0.940618 -1.157838
H -3.773980 -0.673880 -1.937871
H -5.259026 -0.200135 -1.044480
H -3.470959 -4.095892 1.185880
H -2.242767 -2.882185 1.587875
H -3.885316 -2.787727 2.305186
H -4.914814 1.672649 2.452671
H -3.343388 1.838192 1.654923
H -4.861871 1.896480 0.696193
H 0.698981 -2.394951 -2.235954
H -1.008200 0.943764 -2.672935
H 4.425966 -1.413479 0.949550
H 1.957099 3.864991 0.106164
H 2.759664 -3.814671 -2.257036
H -0.711823 3.339857 -3.288295
H 3.982963 0.220008 2.662822
H 2.862954 -1.177438 2.878464
H 2.395951 0.484964 3.416541
H 4.640974 -3.296818 -0.662037
H 0.813997 4.812465 -1.931784


