%chk=000098112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098112

0 1
 O    2.152600      0.6963000      -1.686200    
 O    3.897900      0.9507000     -0.2505000    
 N   -1.182200       1.676000      0.3266000    
 N    3.602000      -1.724500      0.4087000    
 C   0.2319000      1.6300000E-02  0.7424000    
 C    1.449600     -0.7253000       1.128300    
 C  -0.9980000     -0.5472000      0.3011000    
 C   -1.867800      0.5154000      4.6999998E-02
 C   8.7600000E-02   1.384600      0.7475000    
 C    2.422700     -0.9865000     -4.7800001E-02
 C   -1.456000      -1.863300      9.2799999E-02
 C   -3.178100      0.3268000     -0.4068000    
 C   -1.711400       3.016900      0.1981000    
 C   -2.764400      -2.067100     -0.3609000    
 C   -3.610400     -0.9874000     -0.6062000    
 C    2.924000      0.3183000     -0.6341000    
 H    1.972300     -0.1630000       1.915100    
 H    1.167600      -1.683400       1.584300    
 H   0.7827000       2.169300       1.016000    
 H    1.931400      -1.571700     -0.8343000    
 H  -0.8094000      -2.716300      0.2777000    
 H   -3.841800       1.163000     -0.5998000    
 H   -2.577800       3.110200      0.8577000    
 H  -0.9469000       3.742900      0.4862000    
 H   -1.998100       3.175800     -0.8446000    
 H   -3.123000      -3.080100     -0.5237000    
 H   -4.622700      -1.168700     -0.9584000    
 H    4.185400      -1.965800     -0.3918000    
 H    3.310400      -2.608700      0.8236000    
 H    2.465600       1.535500      -2.086200    


%chk=000098112-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098112

0 1
O 3.810378 0.144835 -1.821753
O 3.082440 1.488452 -0.077633
N -1.329831 1.744265 0.374452
N 3.442003 -1.889230 0.110238
C 0.199936 0.065873 0.726297
C 1.483416 -0.663317 1.039086
C -1.065101 -0.534008 0.335512
C -2.002723 0.541121 0.123457
C -0.005806 1.446291 0.736178
C 2.375291 -0.912809 -0.205390
C -1.504368 -1.871811 0.148599
C -3.341683 0.312415 -0.264834
C -1.921158 3.078940 0.282885
C -2.838468 -2.106491 -0.239338
C -3.747501 -1.026160 -0.444701
C 3.083170 0.375077 -0.640561
H 2.083904 -0.116248 1.786246
H 1.244590 -1.652995 1.478204
H 0.709216 2.236372 0.958029
H 1.718852 -1.222450 -1.053737
H -0.818386 -2.712946 0.304990
H -4.045674 1.137158 -0.421487
H -2.750310 3.198600 1.005419
H -1.151898 3.834505 0.507831
H -2.310774 3.271233 -0.734181
H -3.189769 -3.134067 -0.386556
H -4.778848 -1.241550 -0.746148
H 4.062576 -2.099557 -0.677037
H 3.100956 -2.726128 0.591456
H 4.301271 0.973628 -2.073722


