%chk=000102322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102322

0 1
 O   -1.393500      -2.954300      0.5402000    
 N   -3.897100      0.7927000     -6.4900003E-02
 N  -0.5757000     -0.7885000      0.5671000    
 N   0.4624000      8.3400004E-02  0.4213000    
 C   -2.610700      0.1929000     -0.3952000    
 C   -1.851200     -0.1622000      0.8745000    
 C   -4.634000       1.137200      -1.282500    
 C   -3.713500       1.981600      0.7699000    
 C  -0.4555000      -2.164100      0.4263000    
 C   -4.822800     -9.5700003E-02  -2.145200    
 C   -5.060600       2.557300       1.162300    
 C   0.9064000      -2.688900      0.1266000    
 C    1.629100     -0.3987000      0.1388000    
 C    1.923700      -1.836100     -1.2900000E-02
 C    2.769300      0.5402000     -3.0099999E-02
 C    1.070900      -4.172200      5.7999999E-03
 C    3.821800      0.2078000     -0.8804000    
 C    2.781600       1.749200      0.6620000    
 C    4.891600       1.088600      -1.039200    
 C    3.851500       2.630000      0.5031000    
 C    4.906500       2.299600     -0.3475000    
 H   -2.004500      0.8618000      -1.020800    
 H   -2.735200     -0.7424000     -0.9514000    
 H   -2.441800     -0.8534000       1.488300    
 H   -1.603400      0.7039000       1.494400    
 H   -5.642300       1.489700      -1.043300    
 H   -4.132400       1.923200      -1.860800    
 H   -3.241100       1.735900       1.724100    
 H   -3.102400       2.747200      0.2762000    
 H   -3.910800     -0.3802000      -2.679300    
 H   -5.182600     -0.9527000      -1.565100    
 H   -5.575700      0.1107000      -2.914800    
 H   -5.541900       3.098800      0.3420000    
 H   -5.745000       1.785600       1.531700    
 H   -4.926300       3.284100       1.972000    
 H    2.928300      -2.196400     -0.1909000    
 H   0.4483000      -4.561200     -0.8066000    
 H   0.7779000      -4.667000      0.9376000    
 H    2.107600      -4.453800     -0.2073000    
 H    3.833600     -0.7060000      -1.466500    
 H    1.974600       2.024900       1.335600    
 H    5.709300      0.8358000      -1.708000    
 H    3.864000       3.572600       1.042600    
 H    5.738700       2.986100     -0.4724000    


%chk=000102322-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102322

0 1
O -1.642343 -2.627794 -0.438673
N -3.805412 1.128279 -0.255246
N -0.500806 -0.692955 0.252130
N 0.611430 0.095418 0.408881
C -2.489120 0.569441 -0.628356
C -1.786681 -0.050337 0.612178
C -4.958036 0.366259 -0.799339
C -3.918346 2.602277 -0.394637
C -0.533340 -2.015870 -0.287458
C -5.058857 -1.063369 -0.231549
C -4.968712 3.224273 0.547118
C 0.787159 -2.567532 -0.616409
C 1.808538 -0.429277 0.062280
C 1.911923 -1.777247 -0.443161
C 2.991906 0.455247 0.248976
C 0.818416 -3.981791 -1.131212
C 4.240528 0.163190 -0.365104
C 2.888186 1.627958 1.048313
C 5.352465 1.012872 -0.179195
C 3.998122 2.475743 1.231301
C 5.238932 2.172368 0.620571
H -1.829636 1.353451 -1.052029
H -2.596730 -0.220105 -1.398937
H -2.445268 -0.818256 1.045100
H -1.569740 0.728149 1.359142
H -5.880371 0.917706 -0.541608
H -4.914608 0.317631 -1.918217
H -2.930532 3.034133 -0.146978
H -4.141749 2.902536 -1.450679
H -4.162345 -1.667352 -0.461254
H -5.180924 -1.030665 0.866083
H -5.934530 -1.581671 -0.665197
H -5.992459 2.881276 0.313057
H -4.747618 2.950279 1.593572
H -4.958725 4.326645 0.456989
H 2.898135 -2.191958 -0.672990
H 0.214980 -4.069742 -2.053505
H 0.350232 -4.667952 -0.401544
H 1.847709 -4.318610 -1.338122
H 4.351576 -0.715470 -1.009535
H 1.926703 1.855413 1.517776
H 6.304964 0.772100 -0.664258
H 3.899244 3.371938 1.853943
H 6.102837 2.830373 0.765083


