%chk=000049821.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049821

0 1
 O   -1.010700     -0.7953000      -1.789000    
 N   -3.026900     -0.7900000      8.1799999E-02
 C   0.9259000       1.168700     -9.2900001E-02
 C    1.724600      -1.051600     -6.8300001E-02
 C   0.6609000     -0.1824000     -0.2563000    
 C    2.206000       1.633200      0.2697000    
 C    3.004700     -0.5871000      0.2945000    
 C  -3.8800001E-02   2.308600     -0.2002000    
 C    1.708000      -2.546700     -0.1465000    
 C    2.200300       3.121400      0.4352000    
 C    3.947100      -1.734100      0.4890000    
 C   0.9200000       3.502100     -0.3223000    
 C    3.208200      -2.858000     -0.2522000    
 C    3.263900      0.7621000      0.4811000    
 C   -4.010000      -1.111100       1.116200    
 C   -3.279100      0.6095000     -0.2603000    
 C   -1.659400      -1.015800      0.5257000    
 C   -5.278500     -0.4488000      0.5989000    
 C   -4.798200      0.6797000     -0.3086000    
 C  -0.6681000     -0.6643000     -0.5952000    
 H  -0.6857000       2.237300      -1.078500    
 H  -0.6407000       2.380500      0.7112000    
 H    1.281300      -2.967300      0.7698000    
 H    1.166400      -2.920600      -1.019900    
 H    2.124700       3.381600       1.495900    
 H    3.081100       3.595500     -6.6000000E-03
 H    4.931200      -1.547000      5.0600000E-02
 H    4.047000      -1.962300       1.555100    
 H   0.4774000       4.432500      4.6999998E-02
 H    1.163900       3.659300      -1.382400    
 H    3.503700      -2.844100      -1.310800    
 H    3.457300      -3.849700      0.1380000    
 H    4.242000       1.117400      0.7820000    
 H   -3.735800     -0.6776000       2.086500    
 H   -4.140600      -2.190500       1.240800    
 H   -2.853200      0.9084000      -1.222400    
 H   -2.908200       1.290500      0.5161000    
 H   -1.418600     -0.4227000       1.416400    
 H   -1.507600      -2.074700      0.7644000    
 H   -5.898300     -7.3299997E-02   1.419300    
 H   -5.880800      -1.159000      2.0300001E-02
 H   -5.163900      0.5149000      -1.329000    
 H   -5.166400       1.654400      2.6900001E-02


%chk=000049821-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049821

0 1
O -0.961099 -1.291089 -1.295581
N -3.102782 -0.402117 0.311249
C 1.136434 1.288003 0.302201
C 1.741134 -1.019581 -0.229563
C 0.729248 -0.013471 -0.127868
C 2.488604 1.545078 0.657134
C 3.080993 -0.748793 0.154823
C 0.329384 2.583114 0.438387
C 1.614043 -2.479074 -0.663808
C 2.675997 2.994587 1.084360
C 3.943467 -1.997455 0.030540
C 1.418622 3.696324 0.495269
C 3.091318 -2.926019 -0.884891
C 3.464327 0.529421 0.608162
C -4.089630 0.127161 1.290614
C -3.841434 -0.462988 -0.980063
C -1.835607 0.331224 0.299880
C -5.395132 -0.630299 0.936125
C -5.232249 -1.014878 -0.575350
C -0.695916 -0.382390 -0.456605
H -0.380277 2.746538 -0.391993
H -0.266745 2.577249 1.374021
H 1.131097 -3.072167 0.140468
H 0.985369 -2.599196 -1.557725
H 2.687997 3.072150 2.191152
H 3.622100 3.433694 0.719929
H 4.947891 -1.790278 -0.381515
H 4.092748 -2.457152 1.029357
H 1.097456 4.573023 1.084307
H 1.640457 4.042102 -0.531521
H 3.368010 -2.752047 -1.941597
H 3.246763 -3.997638 -0.670449
H 4.501223 0.734367 0.900958
H -4.242625 1.232042 1.167877
H -3.748862 -0.055732 2.325835
H -3.299702 -1.098402 -1.695133
H -3.945456 0.561286 -1.427732
H -1.950419 1.353679 -0.155044
H -1.505487 0.495329 1.343293
H -6.285433 -0.003532 1.119473
H -5.489559 -1.539445 1.553792
H -5.258396 -2.110991 -0.695785
H -6.031771 -0.588036 -1.205983


