%chk=000129415.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129415

0 1
 I    3.163900       3.107100     -5.0000002E-04
 O   -5.592500     -0.7519000      3.4000000E-03
 N   0.8508000      0.9122000     -6.9999998E-04
 N   -3.940300      0.9300000     -3.9999999E-04
 N    5.683300       1.041500      2.9000000E-03
 C  -0.3315000      -1.183200     -6.0000003E-04
 C    2.097500      -1.145600     -3.0000001E-04
 C  -0.3058000      0.2216000     -6.0000003E-04
 C    2.028100      0.2578000     -3.9999999E-04
 C   0.8938000      -1.857600     -3.0000001E-04
 C   -1.522400      0.8987000     -7.9999998E-04
 C   -1.556300      -1.873200     -5.0000002E-04
 C   -2.741300      0.2162000     -7.9999998E-04
 C    3.343000      -1.797300       0.000000    
 C    3.223300      0.9723000     -3.0000001E-04
 C   -2.758800      -1.172700     -6.0000003E-04
 C    4.462800      0.3278000      9.9999997E-05
 C    4.523300      -1.059800      1.9999999E-04
 C   -5.247500      0.4254000       0.000000    
 C   -6.273400       1.530700      1.9999999E-04
 H   0.9107000      -2.946700     -9.9999997E-05
 H   -1.519200       1.988300     -7.9999998E-04
 H   -1.577900      -2.960900     -5.0000002E-04
 H    3.399600      -2.883500      3.0000001E-04
 H   -3.656900      -1.773800     -7.9999998E-04
 H    5.476900      -1.581100      8.9999998E-04
 H   -3.842700       1.943200     -6.0000003E-04
 H    5.671900       2.052700     -6.9999998E-04
 H    6.564400      0.5451000     -6.9999998E-04
 H   -6.167800       2.132400      0.9073000    
 H   -7.279400       1.102900     -2.7799999E-02
 H   -6.134300       2.166500     -0.8787000    


%chk=000129415-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129415

0 1
I 3.148014 3.162283 -0.002480
O -5.657621 -0.730391 -0.003054
N 0.838255 0.917404 -0.001241
N -3.983384 0.924382 -0.002443
N 5.724278 1.088992 -0.000221
C -0.322478 -1.284471 0.000030
C 2.131771 -1.199175 0.000518
C -0.316551 0.174691 -0.000987
C 2.040004 0.267642 -0.000531
C 0.930846 -1.941317 0.000770
C -1.567555 0.866706 -0.001751
C -1.584164 -1.969598 0.000186
C -2.780840 0.165648 -0.001560
C 3.427360 -1.821874 0.001237
C 3.267256 1.015670 -0.000819
C -2.789949 -1.279463 -0.000585
C 4.529578 0.388120 -0.000075
C 4.582376 -1.062952 0.000962
C -5.314158 0.486638 -0.002119
C -6.328974 1.630788 0.001746
H 0.973317 -3.037823 0.001535
H -1.530287 1.962361 -0.002492
H -1.590558 -3.066396 0.000912
H 3.488642 -2.916492 0.002008
H -3.749647 -1.798307 -0.000597
H 5.567361 -1.544696 0.001545
H -3.849888 1.939113 -0.002852
H 5.717931 2.108641 -0.001024
H 6.613873 0.598568 -0.000086
H -6.235233 2.245370 0.916360
H -7.340190 1.201421 -0.032032
H -6.194082 2.293617 -0.873059


