%chk=000063116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063116

0 1
 O    4.972400     -0.6093000     -0.3401000    
 O  -0.9774000      -2.040500      6.7599997E-02
 N  -0.5232000      0.2703000      1.1100000E-02
 N   -2.346600       1.798200     -2.7600000E-02
 C   0.8931000      4.3800000E-02 -7.9899997E-02
 C   -2.805300     -0.6003000      7.2300002E-02
 C   -1.072300       1.554700     -2.0999999E-03
 C   -1.352100     -0.8702000      7.0600003E-02
 C   -3.240200      0.7229000     -1.9000000E-03
 C    1.491700     -7.0299998E-02  -1.328400    
 C    1.646900     -5.8699999E-02   1.082500    
 C   -3.726300      -1.653500      0.1213000    
 C  -0.1705000       2.769800      7.4500002E-02
 C   -4.615200      0.9838000     -2.6100000E-02
 C    3.631100     -0.3951000     -0.2540000    
 C    2.866200     -0.2906000      -1.415800    
 C    3.021500     -0.2790000      0.9951000    
 C   -5.093100      -1.379900      9.7099997E-02
 C   -5.538000     -6.2100001E-02  2.2299999E-02
 C    5.783200     -7.9499997E-02  0.7077000    
 C    7.154000      0.2457000      0.1539000    
 H   0.9036000      9.9999998E-03  -2.238500    
 H    1.178700      2.4700001E-02   2.059500    
 H   -3.400400      -2.688400      0.1759000    
 H   0.5069000       2.784400     -0.7836000    
 H   0.4207000       2.732900      0.9936000    
 H  -0.7596000       3.691600      7.1400002E-02
 H   -4.976900       2.008100     -7.9400003E-02
 H    3.335700     -0.3797000      -2.391700    
 H    3.575400     -0.3814000       1.923600    
 H   -5.810800      -2.194100      0.1349000    
 H   -6.602500      0.1520000      3.4000000E-03
 H    5.365700      0.8487000       1.117500    
 H    5.872900     -0.8252000       1.505300    
 H    7.807300      0.6453000      0.9347000    
 H    7.619900     -0.6491000     -0.2719000    
 H    7.079200      0.9805000     -0.6547000    


%chk=000063116-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063116

0 1
O 5.047396 -0.083221 -0.438120
O -0.755711 -1.958958 0.031069
N -0.595568 0.388415 -0.065285
N -2.537164 1.819157 -0.029899
C 0.855525 0.273936 -0.130343
C -2.806852 -0.649725 0.066938
C -1.222527 1.656846 -0.081557
C -1.345613 -0.841989 0.013208
C -3.352011 0.673419 0.043549
C 1.501357 0.202871 -1.386959
C 1.611791 0.210333 1.056123
C -3.666599 -1.776732 0.141265
C -0.339677 2.879487 -0.159922
C -4.763822 0.842645 0.096678
C 3.664500 0.033111 -0.259044
C 2.899939 0.086500 -1.453544
C 3.017833 0.092541 1.002465
C -5.058190 -1.594976 0.192419
C -5.604920 -0.279795 0.170107
C 5.897248 -0.173592 0.768845
C 7.338154 -0.303063 0.284222
H 0.905915 0.223949 -2.305743
H 1.101614 0.238570 2.024770
H -3.213336 -2.773292 0.156754
H 0.266349 2.886059 -1.083513
H 0.367994 2.925556 0.686921
H -0.989170 3.765983 -0.144156
H -5.160641 1.862090 0.077900
H 3.421300 0.025623 -2.413264
H 3.585533 0.040706 1.935455
H -5.724640 -2.462095 0.249174
H -6.691333 -0.143337 0.210444
H 5.758543 0.739175 1.383979
H 5.591570 -1.056309 1.366777
H 8.022998 -0.380791 1.148024
H 7.458774 -1.204560 -0.340088
H 7.629145 0.575962 -0.315550


