%chk=000053362.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053362

0 1
 O    1.301300      -1.453300     -0.1799000    
 N   -2.922700      -1.558900     -0.2509000    
 N   -5.134300      0.7176000     -6.8099998E-02
 C   -2.970300      -1.430700       1.208200    
 C   -4.234700      -1.506200     -0.8934000    
 C   -3.992700     -0.4543000       1.798500    
 C   -4.618700     -5.2999999E-02  -1.206000    
 C   -4.169200      0.8556000       1.031500    
 C   -2.187500      -2.767300     -0.6258000    
 C  -0.7495000      -2.689300     -0.1234000    
 C   -5.562900       2.043400     -0.5262000    
 C  -2.2900000E-02  -1.479100     -0.6943000    
 C    2.033500     -0.3417000     -0.6783000    
 C    3.489300     -0.3925000     -0.2567000    
 C    1.350200      0.9508000     -0.2830000    
 C    4.448100      0.1676000      -1.080600    
 C    1.468900       2.056000      -1.106800    
 C    3.821900     -0.9980000      0.9408000    
 C   0.6232000      0.9971000      0.8932000    
 C    5.787200      0.1204000     -0.6931000    
 C   0.8400000       3.246600     -0.7425000    
 C    5.161100      -1.045000       1.328500    
 C  -5.7999999E-03   2.187600       1.257500    
 C    6.143700     -0.4859000      0.5114000    
 C   0.1027000       3.312300      0.4396000    
 H   -3.150800      -2.405000       1.682400    
 H   -1.991500      -1.083600       1.559600    
 H   -4.194100      -2.017600      -1.864700    
 H   -5.010100      -2.027400     -0.3178000    
 H   -4.964600     -0.9548000       1.903800    
 H   -3.674000     -0.2173000       2.822300    
 H   -5.408800     -0.1000000      -1.967800    
 H   -3.770900      0.4640000      -1.677500    
 H   -4.565400       1.582500       1.752800    
 H   -3.205700       1.250400      0.6853000    
 H   -2.156800      -2.866700      -1.718500    
 H   -2.674000      -3.670300     -0.2358000    
 H  -0.2170000      -3.596300     -0.4396000    
 H  -0.6803000      -2.701700      0.9703000    
 H   -6.322300       1.955900      -1.311500    
 H   -6.029300       2.603500      0.2921000    
 H   -4.726400       2.634100     -0.9172000    
 H   2.6400000E-02  -1.581600      -1.786300    
 H  -0.5926000     -0.5755000     -0.4808000    
 H    2.013000     -0.4314000      -1.774800    
 H    4.184300      0.6378000      -2.023100    
 H    2.035000       2.016000      -2.032500    
 H    3.072100      -1.430700       1.596200    
 H   0.5465000      0.1477000       1.565800    
 H    6.552500      0.5548000      -1.329700    
 H   0.9233000       4.122000      -1.379900    
 H    5.438700      -1.515000       2.267500    
 H  -0.5756000       2.240400       2.180600    
 H    7.186200     -0.5223000      0.8133000    
 H  -0.3867000       4.239300      0.7236000    


%chk=000053362-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053362

0 1
O 1.265428 -1.376269 -0.032527
N -3.081901 -1.697464 0.014533
N -5.097761 0.696567 -0.636025
C -3.208790 -1.223454 1.411684
C -4.338328 -1.733630 -0.771758
C -4.228392 -0.078187 1.598296
C -4.618290 -0.403357 -1.503864
C -4.202204 1.018202 0.508189
C -2.229860 -2.903434 -0.105685
C -0.759946 -2.654801 0.306601
C -5.421185 1.894893 -1.438292
C -0.146437 -1.469648 -0.442823
C 1.954108 -0.193969 -0.590118
C 3.456592 -0.389527 -0.365494
C 1.405912 1.099301 0.019645
C 4.350957 0.674096 -0.649085
C 0.688473 2.025998 -0.773333
C 3.977818 -1.628586 0.077410
C 1.573042 1.360601 1.403767
C 5.743729 0.500939 -0.496777
C 0.150091 3.202259 -0.199808
C 5.372766 -1.799344 0.236768
C 1.034479 2.529800 1.980430
C 6.261087 -0.738763 -0.052149
C 0.322412 3.456407 1.179372
H -3.491137 -2.062860 2.101099
H -2.211700 -0.869635 1.741249
H -4.225645 -2.510232 -1.552062
H -5.227067 -2.018689 -0.163969
H -5.261592 -0.469268 1.641004
H -4.021789 0.382522 2.584062
H -5.403397 -0.578677 -2.268133
H -3.675536 -0.124815 -2.043668
H -4.580636 1.960956 0.946969
H -3.148667 1.206964 0.179243
H -2.247686 -3.224956 -1.165028
H -2.624102 -3.759112 0.503482
H -0.174372 -3.569361 0.092165
H -0.675271 -2.474100 1.394193
H -6.166369 1.634500 -2.212196
H -5.861677 2.672324 -0.788258
H -4.533255 2.340639 -1.956467
H -0.204170 -1.624170 -1.544343
H -0.688575 -0.535826 -0.200177
H 1.762708 -0.162296 -1.689356
H 3.954837 1.642251 -0.978671
H 0.549332 1.827506 -1.844097
H 3.280983 -2.441670 0.296620
H 2.125737 0.640906 2.018179
H 6.423457 1.331255 -0.720052
H -0.401779 3.913660 -0.824589
H 5.765025 -2.762065 0.584730
H 1.170017 2.724010 3.050587
H 7.341983 -0.873783 0.069139
H -0.092457 4.366390 1.627689


