%chk=000003166.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003166

0 1
 O    1.049000     -0.2103000     -0.1629000    
 O  -4.5899998E-02 -0.2865000       1.862000    
 N    4.709300     -0.5649000      0.1171000    
 C   -2.025900       1.294000      0.1230000    
 C   -3.225700       1.507500     -0.8095000    
 C   -1.058300       2.483100      4.9699999E-02
 C   -1.304900     -9.6000005E-03 -0.2153000    
 C   -3.931700       2.831400     -0.5258000    
 C   -1.768000       3.805400      0.3321000    
 C   -2.965200       4.009900     -0.5909000    
 C   -2.220400      -1.220500     -0.1150000    
 C  -5.5599999E-02 -0.1772000      0.6426000    
 C   -2.067200      -2.286000      -1.002300    
 C   -3.212700      -1.265800      0.8643000    
 C    2.299700     -0.3888000      0.5099000    
 C    3.413400     -0.4025000     -0.5248000    
 C   -2.906300      -3.396400     -0.9104000    
 C   -4.051700      -2.376300      0.9562000    
 C   -3.898500      -3.441600      6.8800002E-02
 C    5.160400      0.7005000      0.7013000    
 C    5.702200      -1.062700     -0.8380000    
 C    6.480000      0.5274000       1.434200    
 C    5.924100     -7.0200004E-02  -1.966600    
 H   -2.385500       1.279500       1.159700    
 H   -3.970900      0.7118000     -0.7217000    
 H   -2.887600       1.504100      -1.854200    
 H  -0.5954000       2.529000     -0.9446000    
 H  -0.2445000       2.377500      0.7757000    
 H  -0.9796000      6.3299999E-02  -1.264200    
 H   -4.740800       2.980200      -1.249800    
 H   -4.394900       2.792500      0.4678000    
 H   -2.104200       3.824200       1.376200    
 H   -1.062900       4.635300      0.2092000    
 H   -2.613300       4.136500      -1.622100    
 H   -3.489200       4.932400     -0.3167000    
 H   -1.296500      -2.264400      -1.768100    
 H   -3.351300     -0.4779000       1.596100    
 H    2.418400      0.4331000       1.223000    
 H    2.279900      -1.338600       1.058600    
 H    3.203600      -1.237900      -1.207000    
 H    3.346900      0.5059000      -1.138000    
 H   -2.786400      -4.226400      -1.600600    
 H   -4.820000      -2.415300       1.723100    
 H   -4.550700      -4.307000      0.1417000    
 H    4.440700       1.024300       1.461600    
 H    5.221500       1.527500     -1.4800000E-02
 H    5.351900      -2.013600      -1.260400    
 H    6.650500      -1.316100     -0.3524000    
 H    6.461200     -0.3396000       2.103500    
 H    7.330500      0.4305000      0.7528000    
 H    6.673700       1.410800       2.053100    
 H    6.606100     -0.5224000      -2.697200    
 H    6.407500      0.8553000      -1.642100    
 H    5.013700      0.1769000      -2.519400    


%chk=000003166-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003166

0 1
O 1.072780 -0.163975 -0.241915
O -0.050158 0.023219 1.787614
N 4.790744 -0.433761 0.142147
C -2.125763 1.417053 0.101937
C -3.417561 1.592341 -0.736949
C -1.250307 2.694074 0.006635
C -1.321280 0.148295 -0.340579
C -4.204446 2.854155 -0.309232
C -2.031997 3.958979 0.432554
C -3.329058 4.126240 -0.394088
C -2.146278 -1.143241 -0.272084
C -0.074188 0.001623 0.533866
C -2.453826 -1.855083 -1.458021
C -2.625763 -1.640029 0.968159
C 2.355116 -0.338474 0.510383
C 3.473364 -0.414712 -0.537805
C -3.232049 -3.034431 -1.412790
C -3.402484 -2.818271 1.014985
C -3.711178 -3.519513 -0.174581
C 5.309151 0.926741 0.434994
C 5.770702 -1.383855 -0.439148
C 6.448466 0.937611 1.470705
C 6.320819 -1.028489 -1.848323
H -2.410984 1.274085 1.165534
H -4.058116 0.695720 -0.643269
H -3.142302 1.679878 -1.810262
H -0.900591 2.814143 -1.041050
H -0.348093 2.586167 0.639394
H -0.978569 0.293347 -1.381762
H -5.107200 2.965576 -0.940856
H -4.558597 2.724516 0.734570
H -2.293150 3.878891 1.508029
H -1.388854 4.854189 0.325649
H -3.063415 4.315680 -1.455137
H -3.897802 5.008939 -0.042380
H -2.082072 -1.484166 -2.421108
H -2.369399 -1.113161 1.894260
H 2.481821 0.517072 1.197695
H 2.297945 -1.260579 1.113379
H 3.349105 -1.342136 -1.125562
H 3.364178 0.434877 -1.251369
H -3.461484 -3.572409 -2.339699
H -3.763329 -3.192847 1.979772
H -4.313794 -4.434013 -0.135951
H 4.465735 1.519094 0.837905
H 5.643575 1.455979 -0.493155
H 5.283794 -2.376995 -0.477706
H 6.615163 -1.484382 0.267320
H 6.137218 0.403520 2.385756
H 7.366943 0.459167 1.085994
H 6.705784 1.978316 1.740573
H 7.015589 -1.815816 -2.195717
H 6.873973 -0.071639 -1.841123
H 5.504620 -0.946208 -2.589691


