%chk=000178909.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178909

0 1
 O   -3.582400       1.782800      0.6191000    
 O   -2.869500      -3.912600      4.5899998E-02
 O   -4.755400      0.1943000     -0.4861000    
 O   -4.547500      -2.394300      4.3499999E-02
 O    5.902800     -0.7842000      -1.119100    
 N  -0.3656000     -0.8083000     -3.4000000E-03
 N   -1.020100      -1.982000      1.2800000E-02
 C   -1.185500      0.2848000     -7.0000002E-03
 C   -2.467700     -0.2151000      7.7000000E-03
 C    1.030400     -0.8010000     -1.4600000E-02
 C  -0.7167000       1.649100     -2.2900000E-02
 C   -2.303900      -1.613200      1.9600000E-02
 C    1.724400     -0.7864000       1.187700    
 C    1.704600     -0.8077000      -1.228100    
 C  -0.4802000       2.320100       1.176900    
 C  -0.5009000       2.297400      -1.238800    
 C    3.806700     -0.7850000     -3.7300002E-02
 C    3.119200     -0.7784000       1.176300    
 C    3.099400     -0.7998000      -1.239600    
 C   -3.676600      0.5561000      9.8000001E-03
 C   -3.328200      -2.619500      3.6699999E-02
 C  -2.7899999E-02   3.639600       1.160600    
 C  -4.8599999E-02   3.616800      -1.255200    
 C   0.1878000       4.287800     -5.5300001E-02
 C    5.260800     -0.7780000     -4.9699999E-02
 C    6.040700     -0.7634000       1.260500    
 H    1.199600     -0.7809000       2.139500    
 H    1.164600     -0.8190000      -2.171400    
 H  -0.6435000       1.828900       2.133200    
 H  -0.6806000       1.788500      -2.182900    
 H    3.629900     -0.7669000       2.134100    
 H    3.612200     -0.8052000      -2.197800    
 H   0.1564000       4.162000       2.094700    
 H   0.1195000       4.121700      -2.201900    
 H   0.5401000       5.315100     -6.8000004E-02
 H    5.819400      -1.661800       1.842400    
 H    5.810700      0.1425000       1.827400    
 H    7.112800     -0.7599000       1.038900    
 H   -4.435200       2.266900      0.5906000    
 H   -3.608300      -4.558000      5.7599999E-02


%chk=000178909-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178909

0 1
O -3.888788 1.450185 1.196005
O -3.118700 -3.686919 -1.072278
O -4.749476 0.387064 -0.680499
O -4.541395 -2.522161 0.354323
O 5.923574 -2.047746 -0.932280
N -0.365804 -0.756573 -0.103291
N -1.066088 -1.940852 -0.327206
C -1.213933 0.335395 0.154420
C -2.523168 -0.191368 0.102593
C 1.070524 -0.832575 -0.096827
C -0.731794 1.733216 0.248293
C -2.375234 -1.587141 -0.206724
C 1.837991 -0.039521 0.789104
C 1.699195 -1.761766 -0.963064
C -1.078319 2.554823 1.352718
C 0.082695 2.269379 -0.787448
C 3.891311 -1.068313 -0.091780
C 3.240936 -0.157819 0.782348
C 3.098762 -1.871295 -0.957479
C -3.811346 0.536117 0.132088
C -3.454007 -2.602572 -0.260660
C -0.607103 3.883912 1.424257
C 0.545603 3.599186 -0.714475
C 0.206066 4.410323 0.394282
C 5.387624 -1.224370 -0.133927
C 6.243790 -0.375296 0.799451
H 1.348431 0.649890 1.481130
H 1.080756 -2.386505 -1.612441
H -1.718188 2.150399 2.141241
H 0.339825 1.649166 -1.653234
H 3.824677 0.457879 1.473824
H 3.611736 -2.576165 -1.619694
H -0.877753 4.507543 2.283122
H 1.164836 4.002885 -1.522573
H 0.567609 5.442937 0.450996
H 5.998533 -0.580192 1.858515
H 6.077645 0.703825 0.623365
H 7.304560 -0.609767 0.625315
H -4.766735 1.918562 1.143271
H -3.861147 -4.349968 -1.038381


