%chk=000090954.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090954

0 1
 O   -3.305000       1.110400     -0.7957000    
 O    3.564900      0.5382000     -0.9273000    
 O    3.123800      -1.349400      0.1120000    
 N   0.4003000     -0.4969000      0.2418000    
 N    1.235000       1.561000      0.2640000    
 N    2.778100     -0.1916000     -0.2596000    
 C   -2.010700     -0.1547000      0.8185000    
 C  -0.6069000      0.3391000      0.5531000    
 C   -2.852400     -0.2011000     -0.4633000    
 C  -0.1030000       1.591200      0.5680000    
 C    1.506500      0.2889000      7.3700003E-02
 C   -4.070700      -1.100000     -0.2936000    
 C   0.3401000      -1.935100      0.1084000    
 H   -1.974900      -1.135600       1.305900    
 H   -2.478800      0.5291000       1.539400    
 H   -2.254100     -0.5692000      -1.305100    
 H  -0.6092000       2.522400      0.7762000    
 H   -4.720500     -0.7298000      0.5071000    
 H   -4.672700      -1.109200      -1.208700    
 H   -3.777300      -2.128300     -6.1600000E-02
 H   0.7370000      -2.383200       1.022500    
 H  -0.6883000      -2.263300     -5.1399998E-02
 H   0.9194000      -2.241600     -0.7664000    
 H   -3.813200       1.045300      -1.622300    


%chk=000090954-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090954

0 1
O -3.025327 1.005349 -1.004627
O 3.802531 0.792619 -0.362273
O 3.035819 -1.362940 -0.477923
N 0.441536 -0.509147 0.233848
N 1.213847 1.645631 0.329183
N 2.866649 -0.083077 -0.266756
C -2.042696 -0.189845 0.817479
C -0.645022 0.304035 0.584959
C -2.867985 -0.365356 -0.483023
C -0.134341 1.618847 0.633866
C 1.539794 0.357747 0.092706
C -4.231951 -1.024964 -0.216995
C 0.397158 -1.975082 0.064210
H -2.050431 -1.142046 1.380558
H -2.572987 0.555944 1.435875
H -2.291112 -0.980371 -1.209168
H -0.686114 2.529482 0.852124
H -4.815413 -0.423636 0.502806
H -4.820711 -1.109000 -1.149499
H -4.111520 -2.045132 0.193143
H 1.103562 -2.463977 0.751588
H -0.626080 -2.323185 0.271776
H 0.682384 -2.253302 -0.961731
H -3.494187 0.978006 -1.876527


