%chk=000023233.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023233

0 1
 O  -0.1794000      -1.954800     -0.5144000    
 O  -4.9100000E-02  -4.084900      0.5169000    
 O    2.352300      -1.375800      -1.423100    
 O   -2.841600      -3.653300      0.8138000    
 O    4.385500      0.1661000     -0.2920000    
 O    3.871500       2.561200      0.8213000    
 O   -3.608600       3.723100      0.6472000    
 N   -3.453400       1.401700      0.4593000    
 C  -0.3195000     -0.5879000      5.2000000E-03
 C   0.6153000      0.3180000     -0.8648000    
 C   -1.837100     -0.3517000     -2.7000001E-02
 C  -0.5818000      -2.791600      0.5846000    
 C   0.1215000     -0.7729000       1.438900    
 C   0.4838000       1.806600     -0.5128000    
 C  -5.3500000E-02  -2.056400       1.774300    
 C    2.076300     -0.1530000     -0.8380000    
 C   -2.697400      -1.364400      0.2075000    
 C   -2.111300      -2.700800      0.5566000    
 C   -2.454200      0.9841000     -0.2545000    
 C   -1.875300       1.867900      -1.333500    
 C  -0.6498000       2.491000     -0.7517000    
 C    1.615900       2.475400      0.1119000    
 C    3.073000      0.5829000     -0.3189000    
 C    2.819700       1.897500      0.2236000    
 C  -0.5372000      -4.811000     -0.6114000    
 C    2.619400      -1.219600      -2.801900    
 C   -3.960300       2.646300      0.1687000    
 C    4.673100     -0.5170000      0.9136000    
 C    3.560800       2.890500       2.161100    
 C   -5.058500       2.582500     -0.8604000    
 H   0.3041000      0.2052000      -1.913000    
 H   0.4423000      9.4999997E-03   2.110000    
 H   0.1171000      -2.476100       2.753800    
 H   -3.776200      -1.267800      0.2045000    
 H   -2.542000       2.641500      -1.716200    
 H   -1.633800       1.252400      -2.207800    
 H  -0.7206000       3.544800     -0.4909000    
 H    1.457700       3.489400      0.4695000    
 H  -0.5161000      -4.213700      -1.528100    
 H   -1.538400      -5.207300     -0.4301000    
 H   0.1252000      -5.669800     -0.7574000    
 H    2.873400      -2.202500      -3.210600    
 H    3.473100     -0.5555000      -2.977000    
 H    1.741200     -0.8525000      -3.343100    
 H    4.050100      -1.412100       1.022000    
 H    4.554800      0.1270000       1.790500    
 H    5.717700     -0.8408000      0.8775000    
 H    4.495700       3.152700       2.666500    
 H    3.117800       2.047300       2.704700    
 H    2.905800       3.766200       2.216000    
 H   -6.006700       2.373000     -0.3581000    
 H   -5.128900       3.543600      -1.377700    
 H   -4.865100       1.806400      -1.605900    


%chk=000023233-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023233

0 1
O -0.092665 -1.800540 -0.763452
O 0.081265 -3.923160 0.371905
O 2.113693 -0.871698 -2.222441
O -2.829942 -3.590970 0.582222
O 4.339424 0.031276 -0.506852
O 3.838280 2.008773 1.300835
O -3.921977 3.648356 0.366112
N -3.690720 1.344211 -0.016513
C -0.309123 -0.408506 -0.262555
C 0.594403 0.583973 -1.089131
C -1.849585 -0.170562 -0.314115
C -0.525222 -2.650920 0.405639
C 0.083774 -0.545224 1.231477
C 0.489995 1.963498 -0.437976
C -0.048835 -1.837105 1.606356
C 2.007368 0.040206 -1.188483
C -2.637653 -1.276642 -0.064776
C -2.092182 -2.601699 0.312731
C -2.517778 1.137269 -0.573728
C -1.815831 2.180052 -1.452512
C -0.667173 2.693200 -0.612018
C 1.567899 2.388700 0.429374
C 3.014660 0.498468 -0.363681
C 2.749971 1.666882 0.498469
C -0.284748 -4.778659 -0.782491
C 3.054015 -2.008262 -2.136669
C -4.428657 2.539323 0.006355
C 4.877226 -0.716418 0.653555
C 3.753412 3.253283 2.074600
C -5.911574 2.357006 -0.277086
H 0.193907 0.599452 -2.120732
H 0.359460 0.311757 1.845842
H 0.088260 -2.286601 2.589685
H -3.728209 -1.181799 -0.085072
H -2.514540 2.995221 -1.691912
H -1.470822 1.717760 -2.396086
H -0.838591 3.619763 -0.053437
H 1.432225 3.309238 1.004796
H -0.048994 -4.263453 -1.730655
H -1.352742 -5.050918 -0.740742
H 0.338832 -5.678070 -0.672030
H 2.842951 -2.606994 -3.035456
H 2.830472 -2.598219 -1.229092
H 4.096737 -1.656406 -2.127619
H 4.265023 -1.618993 0.848678
H 4.903995 -0.072450 1.548157
H 5.898890 -1.006156 0.363249
H 4.717806 3.331666 2.596515
H 2.927397 3.209180 2.809945
H 3.613053 4.122411 1.405113
H -6.393548 1.862244 0.586198
H -6.382477 3.339216 -0.434824
H -6.072501 1.708641 -1.156469


