%chk=000126399.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126399

0 1
 O    3.261500      -2.445600     -3.9999999E-04
 O   -5.516800       1.137200     -1.3000000E-03
 O   -3.842300       2.563300       0.000000    
 N    2.512200      -1.397600     -6.0000003E-04
 N   -4.292800       1.396000     -5.0000002E-04
 C   0.2955000     -0.4072000     -9.9999997E-05
 C   -1.112100     -0.6020000      1.9999999E-04
 C   0.8580000      0.8899000     -1.9999999E-04
 C    1.132000      -1.543100     -3.0000001E-04
 C   -1.979500      0.5111000      3.0000001E-04
 C   -1.654900      -1.911300      3.0000001E-04
 C    2.283000       1.030700     -9.9999997E-05
 C    3.089400     -0.1343000     -3.0000001E-04
 C  -4.5299999E-02   1.977200      9.9999997E-05
 C   -1.431100       1.794400      3.0000001E-04
 C   0.5899000      -2.832600     -9.9999997E-05
 C  -0.7912000      -3.013600      1.9999999E-04
 C   -3.367900      0.3103000      5.0000002E-04
 C   -3.047000      -2.082000      6.0000003E-04
 C    2.970800       2.269400       0.000000    
 C   -3.896900     -0.9783000      6.0000003E-04
 C    4.490700     -5.5300001E-02 -9.9999997E-05
 C    4.367800       2.342700      5.0000002E-04
 C    5.127000       1.180700      3.0000001E-04
 H   0.3169000       3.002800      3.0000001E-04
 H   -1.915100       2.754500      7.9999998E-04
 H    1.216500      -3.720800     -1.9999999E-04
 H   -1.186700      -4.027200      3.0000001E-04
 H   -3.482300      -3.079400      6.0000003E-04
 H    2.430600       3.212600      9.9999997E-05
 H   -4.966300      -1.173800      6.9999998E-04
 H    5.118100     -0.9431000     -3.0000001E-04
 H    4.858100       3.312100      6.9999998E-04
 H    6.211200       1.237000      5.0000002E-04


%chk=000126399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126399

0 1
O 3.324001 -2.515022 -0.000048
O -5.691632 1.034403 -0.000936
O -4.082171 2.636730 0.000743
N 2.544557 -1.435746 0.000055
N -4.443869 1.390894 0.000211
C 0.309954 -0.396314 0.000140
C -1.121479 -0.576966 0.000170
C 0.882981 0.914167 0.000163
C 1.154136 -1.564887 0.000084
C -1.999627 0.580032 0.000246
C -1.664006 -1.914708 0.000127
C 2.331168 1.036830 0.000112
C 3.146898 -0.144734 0.000054
C -0.003981 2.033767 0.000224
C -1.386789 1.884732 0.000277
C 0.600936 -2.885297 0.000053
C -0.772459 -3.049199 0.000076
C -3.419398 0.322589 0.000202
C -3.072949 -2.096781 0.000125
C 3.014949 2.293087 0.000114
C -3.934947 -0.994641 0.000135
C 4.566030 -0.079254 -0.000004
C 4.412127 2.362144 0.000058
C 5.194707 1.169620 0.000000
H 0.402339 3.049067 0.000248
H -2.032100 2.761110 0.000375
H 1.295097 -3.728316 0.000013
H -1.207559 -4.054296 0.000052
H -3.483169 -3.111823 0.000115
H 2.437804 3.221728 0.000154
H -5.019944 -1.120451 0.000092
H 5.123532 -1.018326 -0.000045
H 4.908280 3.338266 0.000057
H 6.287583 1.232294 -0.000042


