%chk=000054888.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054888

0 1
 O    5.895100      0.4114000      7.1999997E-02
 O    4.664200      -1.495800     -0.2073000    
 N  -0.8876000       2.148800      0.2980000    
 N   -1.763000     -0.5139000     -2.3000000E-02
 N    1.892200     -0.9584000     -0.1392000    
 N    3.654700      0.5986000      9.2000000E-02
 N   0.1178000      -2.512000     -0.3574000    
 C   -2.260900       1.915900     -9.4800003E-02
 C   3.7799999E-02   1.132200      0.1442000    
 C   -2.641800      0.4441000     -2.3800001E-02
 C  -0.4015000     -0.1821000     -3.0900000E-02
 C   -4.093900      9.0599999E-02  2.3000001E-03
 C    1.409000       1.384800      0.1992000    
 C   0.5591000      -1.177500     -0.1681000    
 C    2.283300      0.3199000      4.8000000E-02
 C   -5.017400      0.9146000     -0.6345000    
 C   -4.513600      -1.060400      0.6628000    
 C   -6.372500      0.5847000     -0.6105000    
 C   -5.868700      -1.390200      0.6867000    
 C   -6.798100     -0.5676000      5.0000001E-02
 C    4.720300     -0.2847000     -3.2499999E-02
 C    7.095900     -0.3620000     -3.5200000E-02
 C    8.289500      0.5591000      0.1019000    
 H   -2.391200       2.252000      -1.129700    
 H   -2.922100       2.504700      0.5489000    
 H  -0.5603000       3.102400      0.3968000    
 H    1.774200       2.397100      0.3494000    
 H   -4.714500       1.811400      -1.166500    
 H   -3.807100      -1.711100       1.170900    
 H    3.908200       1.573600      0.2338000    
 H   -7.096200       1.223500      -1.108400    
 H   -6.200700      -2.286700       1.202300    
 H  -0.7836000      -2.776300      2.0800000E-02
 H   0.8312000      -3.224700     -0.4474000    
 H   -7.853100     -0.8247000      6.8499997E-02
 H    7.116600      -1.115500      0.7599000    
 H    7.122900     -0.8601000      -1.010700    
 H    9.226100     -3.0000001E-04  2.4499999E-02
 H    8.272600       1.330000     -0.6756000    
 H    8.266400       1.078900       1.065400    


%chk=000054888-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054888

0 1
O 5.955894 0.398151 0.001314
O 4.779902 -1.633193 0.228691
N -0.868537 2.164379 -0.230965
N -1.782768 -0.491514 0.052315
N 1.897809 -1.021216 0.166925
N 3.713339 0.501842 -0.018937
N 0.119399 -2.530410 0.340185
C -2.321951 1.963087 -0.082002
C 0.067790 1.153917 -0.095095
C -2.689726 0.467690 -0.030086
C -0.418108 -0.182309 0.059949
C -4.126977 0.119646 -0.040325
C 1.463714 1.384393 -0.125110
C 0.545790 -1.234967 0.188331
C 2.320687 0.255903 0.010642
C -5.139928 1.122921 -0.045298
C -4.533496 -1.247671 -0.040001
C -6.507225 0.770101 -0.049320
C -5.895711 -1.596296 -0.045351
C -6.893610 -0.588627 -0.050315
C 4.776804 -0.395597 0.087667
C 7.228455 -0.366252 0.088105
C 8.361178 0.652359 -0.001222
H -2.851529 2.438809 -0.933830
H -2.698934 2.458797 0.842598
H -0.537638 3.118556 -0.368666
H 1.869697 2.394932 -0.246167
H -4.873332 2.185245 -0.039891
H -3.753335 -2.014398 -0.037926
H 4.005370 1.474528 -0.132118
H -7.270552 1.556374 -0.051253
H -6.186998 -2.652802 -0.047476
H -0.881538 -2.715625 0.350005
H 0.813617 -3.269000 0.420013
H -7.954729 -0.861449 -0.055249
H 7.240440 -0.925765 1.041383
H 7.256818 -1.099541 -0.738702
H 9.335641 0.134107 0.058498
H 8.320116 1.205507 -0.955344
H 8.303464 1.379689 0.826828


