%chk=000154850.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154850

0 1
 O    1.042800      0.9579000     -0.1300000    
 O   -5.227700      0.6948000     -0.3934000    
 O    2.886100      -2.657800      0.1592000    
 N   0.1556000      -2.643700      2.5599999E-02
 N   -3.987700      0.6014000       2.131000    
 C   0.3144000     -0.2175000     -8.2800001E-02
 C   -1.136800      2.1900000E-02 -0.1578000    
 C    3.091400     -0.3213000      3.5500001E-02
 C   0.8349000      -1.459100      4.1999999E-03
 C    2.407800      0.8854000     -6.6000000E-02
 C    2.321300      -1.573800      7.4299999E-02
 C   -1.876500      0.1977000       1.011400    
 C   -1.771300      7.2499998E-02  -1.398900    
 C   -3.251000      0.4244000      0.9396000    
 C    4.487600     -0.3367000      9.7300000E-02
 C    3.114000       2.088200     -0.1069000    
 C   -3.885600      0.4752000     -0.3015000    
 C   -3.145700      0.2991000      -1.470700    
 C    5.192900      0.8666000      5.6600001E-02
 C    4.507400       2.077400     -4.5499999E-02
 C   -6.073800     -0.4528000     -0.3815000    
 H   -1.382900      0.1591000       1.980500    
 H   -1.207800     -6.2199999E-02  -2.319100    
 H    5.039700      -1.268800      0.1765000    
 H    2.587000       3.035200     -0.1862000    
 H   -3.633100      0.3380000      -2.441200    
 H    6.278100      0.8607000      0.1042000    
 H    5.059400       3.012300     -7.7100001E-02
 H   0.6659000      -3.515800      8.8799998E-02
 H  -0.8552000      -2.654000     -2.3000000E-02
 H   -3.519800      0.5654000       3.026800    
 H   -4.982000      0.7810000       2.087000    
 H   -5.876300      -1.081300      -1.255600    
 H   -7.112300     -0.1130000     -0.4234000    
 H   -5.932600      -1.032300      0.5362000    


%chk=000154850-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154850

0 1
O 1.016873 0.891398 -0.136895
O -5.369832 0.246159 0.159845
O 3.072990 -2.714472 0.369082
N 0.363256 -2.749980 0.390065
N -3.988255 0.439475 2.429629
C 0.319571 -0.325767 0.042340
C -1.158919 -0.171185 0.030165
C 3.161456 -0.306689 0.020857
C 0.991982 -1.530698 0.210719
C 2.412971 0.892335 -0.147769
C 2.473311 -1.590607 0.210784
C -1.855157 0.064334 1.245056
C -1.881537 -0.283779 -1.182015
C -3.264648 0.202960 1.266952
C 4.583563 -0.221135 -0.001497
C 3.044235 2.144816 -0.334005
C -3.974288 0.091234 0.025757
C -3.291685 -0.149678 -1.180174
C 5.221575 1.013148 -0.184653
C 4.447368 2.199452 -0.351547
C -6.176463 0.168681 -1.057990
H -1.291618 0.149373 2.181535
H -1.348420 -0.466120 -2.120020
H 5.146637 -1.151139 0.129179
H 2.426558 3.038855 -0.459911
H -3.841234 -0.233842 -2.122760
H 6.314831 1.071262 -0.200630
H 4.948706 3.162775 -0.495069
H 0.975985 -3.558933 0.498284
H -0.647751 -2.839352 0.392619
H -3.522863 0.543959 3.325219
H -4.997862 0.538440 2.368390
H -5.886930 0.957591 -1.778698
H -7.215001 0.326200 -0.731650
H -6.081204 -0.824970 -1.537094


