%chk=000158962.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158962

0 1
 O   -3.647800     -0.7718000       1.176000    
 O  -0.3749000       2.244300     -0.4025000    
 O    3.884700      0.4655000      0.4384000    
 N   -1.296700     -0.5986000     -0.5289000    
 N    2.118400      -1.016900      0.1281000    
 N    1.767700       1.377100      2.0099999E-02
 N   7.2099999E-02  -2.334200     -0.2384000    
 C  -5.7000000E-02 -7.3600002E-02 -0.3014000    
 C   -2.523700      0.1202000     -0.7755000    
 C   0.7611000      -1.156400     -0.1273000    
 C   -3.291600      0.4381000      0.5108000    
 C   0.3750000       1.285100     -0.2431000    
 C   -1.167900      -1.962800     -0.4812000    
 C    2.683200      0.2803000      0.2136000    
 C   -4.582300       1.183700      0.2016000    
 C    2.949500      -2.201000      0.3066000    
 C    2.330300       2.720900      0.1031000    
 H   -3.131500     -0.5216000      -1.426600    
 H   -2.294200       1.024900      -1.346100    
 H   -2.667500       1.026900       1.192400    
 H   -2.005800      -2.630600     -0.6296000    
 H   -5.131100       1.401500       1.124400    
 H   -4.380800       2.128700     -0.3121000    
 H   -5.247200      0.5778000     -0.4239000    
 H    3.991700      -1.934700      0.4999000    
 H    2.903100      -2.808400     -0.6026000    
 H    2.569300      -2.777600       1.155400    
 H    1.584400       3.503700     -5.1800001E-02
 H    3.116800       2.817200     -0.6522000    
 H    2.787300       2.847700       1.089600    
 H   -4.103100     -0.5311000       2.000900    


%chk=000158962-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158962

0 1
O -3.987102 -1.146611 0.640991
O -0.236491 2.392468 -0.543413
O 3.983623 0.476900 0.337065
N -1.325467 -0.541892 -0.446289
N 2.155942 -0.987103 0.171921
N 1.871688 1.397575 -0.100661
N 0.072615 -2.309990 -0.048946
C -0.033769 -0.010818 -0.278244
C -2.558041 0.234488 -0.692943
C 0.791967 -1.122200 -0.039489
C -3.499391 0.246617 0.521948
C 0.453147 1.342441 -0.329358
C -1.206658 -1.913545 -0.295551
C 2.746460 0.297378 0.148751
C -4.660693 1.233910 0.324385
C 2.994705 -2.175191 0.424213
C 2.523184 2.727604 -0.123677
H -3.097775 -0.205597 -1.550586
H -2.249057 1.263531 -0.939456
H -2.916607 0.520378 1.427104
H -2.066659 -2.573742 -0.349935
H -5.348193 1.210671 1.190070
H -4.285308 2.268362 0.222093
H -5.241175 0.976290 -0.579598
H 4.028953 -1.828724 0.562866
H 2.934371 -2.868448 -0.431228
H 2.642305 -2.700551 1.327489
H 1.738676 3.472898 -0.319458
H 3.292178 2.757784 -0.912756
H 3.014074 2.924531 0.843270
H -4.540003 -1.235113 1.457122


