%chk=000019792.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019792

0 1
 O  -0.1072000       2.131600      -1.434300    
 O    5.364600      0.2118000      0.5627000    
 N   -1.135600      0.2433000     -0.5628000    
 N    1.186500      -1.688800     -0.7997000    
 N   -4.267100       2.143000      0.2425000    
 C   -2.446500      0.8760000     -0.7874000    
 C   -1.151500      -1.132800     -0.1303000    
 C   -2.984400       1.498400      0.4927000    
 C  -9.6400000E-02  -2.034500     -0.3480000    
 C  -2.0400001E-02   1.049700     -0.8412000    
 C    1.337400      0.7234000     -0.3660000    
 C    1.909700     -0.5368000     -0.4876000    
 C   -2.342100      -1.653600      0.4379000    
 C  -0.2796000      -3.404300     -2.6799999E-02
 C    2.121100       1.808600      7.6300003E-02
 C    3.277700     -0.6851000     -0.1743000    
 C   -2.496500      -3.003100      0.7626000    
 C    4.050700      0.3906000      0.2606000    
 C   -1.463500      -3.886300      0.5191000    
 C   -4.772800       2.777200       1.461400    
 C   -5.240800       1.175300     -0.2669000    
 C    3.467100       1.641000      0.3950000    
 C    6.089600       1.355200       1.014500    
 H   -2.349900       1.659400      -1.550100    
 H   -3.102000      0.1277000      -1.244600    
 H   -3.047700      0.8005000       1.332600    
 H   -2.266200       2.265000      0.8154000    
 H    1.757800      -2.476000      -1.091700    
 H   -3.225000      -1.055600      0.6203000    
 H   0.5333000      -4.111300     -0.1892000    
 H    1.691600       2.804400      0.1688000    
 H    3.743100      -1.667100     -0.2503000    
 H   -3.431000      -3.357400       1.187200    
 H   -1.569100      -4.939400      0.7589000    
 H   -4.059000       3.520700       1.833400    
 H   -4.961100       2.049500       2.259300    
 H   -5.705300       3.315200       1.257600    
 H   -6.239300       1.628200     -0.3068000    
 H   -5.311600      0.2801000      0.3611000    
 H   -5.029000      0.8815000      -1.299100    
 H    3.997500       2.526200      0.7281000    
 H    7.116700       1.030400       1.210300    
 H    5.688900       1.737800       1.959300    
 H    6.140200       2.129800      0.2418000    


%chk=000019792-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019792

0 1
O -0.346448 2.427227 -0.221407
O 5.526826 0.124618 0.193031
N -1.136324 0.258962 -0.298621
N 1.169536 -1.496710 -0.967766
N -4.547984 1.988269 0.020391
C -2.445911 0.862489 -0.695251
C -1.110967 -1.151812 -0.012125
C -3.190891 1.591659 0.453657
C -0.032764 -2.000381 -0.399228
C -0.085637 1.179955 -0.138221
C 1.329025 0.750327 0.096225
C 1.929520 -0.447102 -0.399377
C -2.260150 -1.753304 0.568306
C -0.154615 -3.405463 -0.238306
C 2.179822 1.731093 0.668115
C 3.335629 -0.600863 -0.353683
C -2.374669 -3.150096 0.720912
C 4.154821 0.401041 0.208701
C -1.319631 -3.987642 0.297864
C -5.046073 3.202094 0.697783
C -5.525103 0.883787 0.070514
C 3.574058 1.577656 0.750899
C 6.428926 1.124040 0.774208
H -2.250053 1.607272 -1.483847
H -3.065096 0.056004 -1.121024
H -3.212888 0.954807 1.375058
H -2.611894 2.496598 0.699399
H 1.736143 -2.214857 -1.426075
H -3.083192 -1.114508 0.899873
H 0.685745 -4.043062 -0.541473
H 1.708482 2.658449 1.007751
H 3.813649 -1.509971 -0.734552
H -3.280384 -3.575589 1.164993
H -1.392426 -5.075345 0.398859
H -4.323001 4.024737 0.562118
H -5.214595 3.064315 1.796310
H -6.005646 3.511794 0.244744
H -6.486340 1.216249 -0.360546
H -5.720922 0.519965 1.113154
H -5.171246 0.025646 -0.527586
H 4.184369 2.364512 1.200969
H 7.437773 0.704252 0.650801
H 6.216961 1.279184 1.849520
H 6.356466 2.089105 0.237232


