%chk=000155009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155009

0 1
 O   -3.653000      0.5345000      0.3739000    
 O   -2.149000       2.240000      0.6707000    
 O   0.1395000       2.734500     -0.5237000    
 O    2.637100       2.654900      8.8399999E-02
 N  -0.2456000      0.3853000     -0.3884000    
 C   -1.620500      0.3580000     -0.7841000    
 C   -2.247900      -1.010500     -0.6643000    
 C   -3.692300     -0.6750000     -0.3926000    
 C   0.4079000     -0.8875000     -6.5200001E-02
 C   -2.454200       1.167400      0.1728000    
 C   0.5266000       1.585500     -0.2907000    
 C   0.3539000      -1.312600       1.228000    
 C    1.023200      -1.555300      -1.080600    
 C    1.984900       1.402800      8.8799998E-02
 C   0.9751000      -2.523000       1.535400    
 C    1.644500      -2.765700     -0.7732000    
 C  -0.3293000     -0.5574000       2.321900    
 C    1.065500      -1.063600      -2.491300    
 C    1.620600      -3.249700      0.5348000    
 C    4.012800       2.537500      0.4395000    
 H   -1.732200      0.7893000      -1.785100    
 H   -1.922900      -1.616400      0.1824000    
 H   -2.130800      -1.619900      -1.566000    
 H   -4.255900     -0.4853000      -1.312100    
 H   -4.199100      -1.456800      0.1807000    
 H    2.048100      0.9749000       1.093900    
 H    2.485400      0.7534000     -0.6331000    
 H   0.9637000      -2.915100       2.549000    
 H    2.151100      -3.345400      -1.540300    
 H   -1.412100     -0.7050000       2.279200    
 H   9.4999997E-03 -0.8984000       3.307000    
 H  -0.1087000      0.5131000       2.280500    
 H    1.497300     -6.1099999E-02  -2.555800    
 H    1.677800      -1.713100      -3.126900    
 H   5.8400001E-02  -1.048200      -2.920300    
 H    2.103600      -4.192500      0.7741000    
 H    4.116400       2.124100       1.447300    
 H    4.457400       3.536100      0.4232000    
 H    4.539700       1.907500     -0.2837000    


%chk=000155009-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000155009

0 1
O -3.861494 -0.102331 0.413154
O -2.547684 1.275575 1.742031
O -0.234098 2.774102 -0.495464
O 2.710092 1.606658 -0.699175
N -0.277420 0.475272 -0.089621
C -1.700155 0.472711 -0.498588
C -2.225783 -0.771620 -1.244426
C -3.739982 -0.728680 -0.941158
C 0.430404 -0.775681 0.158071
C -2.685551 0.626877 0.697232
C 0.358016 1.727236 -0.096798
C 0.426010 -1.362771 1.457673
C 1.115012 -1.389860 -0.936764
C 1.792756 1.790636 0.434132
C 1.109734 -2.593489 1.638401
C 1.776625 -2.621299 -0.710121
C -0.264618 -0.719130 2.645838
C 1.183093 -0.733869 -2.302551
C 1.772144 -3.224138 0.566222
C 4.101740 1.836065 -0.305904
H -1.833224 1.393995 -1.104867
H -1.772116 -1.689186 -0.831912
H -2.027300 -0.741030 -2.327364
H -4.295292 -0.091598 -1.652557
H -4.214460 -1.719099 -0.875615
H 1.924014 2.800651 0.872066
H 1.983000 1.019374 1.208513
H 1.118265 -3.051485 2.634478
H 2.303107 -3.102861 -1.542244
H -1.301282 -1.089108 2.758816
H 0.269998 -0.962739 3.580559
H -0.341032 0.375578 2.551026
H 1.828472 0.162917 -2.252370
H 1.602611 -1.428171 -3.050360
H 0.194870 -0.396910 -2.660944
H 2.290430 -4.176482 0.724931
H 4.247161 2.871946 0.065585
H 4.705116 1.683594 -1.214248
H 4.425324 1.119650 0.478423


