%chk=000044299.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044299

0 1
 O   -7.492600     -0.2634000       1.695500    
 O   -6.990400      -2.380200       1.372000    
 N    3.324900       1.147800      0.7398000    
 N   -1.290500      0.4833000      -1.049000    
 N   -2.280100      0.3635000      -1.801400    
 N   -6.760000      -1.158000       1.210000    
 C    1.924100     -0.1511000     -0.7020000    
 C    1.113500      0.9722000     -0.8983000    
 C    3.045600     -3.1900000E-02  0.1389000    
 C    1.411200       2.185300     -0.2733000    
 C    3.862400      -1.167700      0.3349000    
 C    2.544300       2.228800      0.5505000    
 C    3.553300      -2.396400     -0.3041000    
 C    1.624400      -1.366400      -1.329600    
 C  -9.3300000E-02  0.8792000      -1.791700    
 C    2.432300      -2.479600      -1.132200    
 C   0.6145000       3.329900     -0.4526000    
 C    5.004500      -1.129400       1.163000    
 C    2.851600       3.432500       1.179300    
 C    4.371500      -3.520600     -0.1035000    
 C   0.9422000       4.521800      0.1866000    
 C    5.808900      -2.255100       1.353200    
 C    2.063600       4.572900       1.004500    
 C    5.492400      -3.449900      0.7203000    
 C   -3.403200     -1.7800000E-02  -1.048100    
 C   -4.231000      0.9575000     -0.5004000    
 C   -3.679100      -1.367900     -0.8536000    
 C   -5.626400     -0.7726000      0.4467000    
 C   -5.345300      0.5792000      0.2488000    
 C   -4.793400      -1.746100     -0.1045000    
 H   0.7578000      -1.521500      -1.962800    
 H  -0.2718000       1.820600      -2.324300    
 H   7.9999998E-02  0.2013000      -2.635700    
 H    2.172500      -3.412800      -1.627200    
 H  -0.2867000       3.344900      -1.055700    
 H    5.288000     -0.2129000       1.677500    
 H    3.725300       3.497200       1.825400    
 H    4.141200      -4.466500     -0.5900000    
 H   0.3230000       5.403400      5.2400000E-02
 H    6.681800      -2.194800       1.996600    
 H    2.328000       5.497300       1.509600    
 H    6.116300      -4.326500      0.8667000    
 H   -4.019000       2.012900     -0.6502000    
 H   -3.035200      -2.132600      -1.279900    
 H   -5.971500       1.365400      0.6629000    
 H   -4.980800      -2.808600      2.8700000E-02


%chk=000044299-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044299

0 1
O -7.365942 -2.621885 0.391627
O -7.091483 -1.184045 2.141909
N 3.438129 1.031370 0.745716
N -1.385396 1.305594 -0.976785
N -1.978603 0.278756 -1.503355
N -6.725813 -1.686511 1.010114
C 1.704252 0.175115 -0.796640
C 1.077923 1.453304 -0.837963
C 2.905367 0.015795 0.017464
C 1.606082 2.518308 -0.037729
C 3.584471 -1.285418 0.064605
C 2.813561 2.254675 0.734603
C 3.048841 -2.389516 -0.681386
C 1.202869 -0.976699 -1.524759
C -0.139710 1.677056 -1.727227
C 1.845918 -2.196703 -1.465685
C 1.018363 3.827980 0.054601
C 4.764186 -1.474422 0.838329
C 3.391573 3.302386 1.527893
C 3.709246 -3.653449 -0.631514
C 1.599718 4.822692 0.839955
C 5.400333 -2.725414 0.874612
C 2.801142 4.562783 1.579168
C 4.871036 -3.822276 0.136317
C -3.169453 -0.150085 -0.802472
C -3.899235 -1.182537 -1.443933
C -3.607151 0.376380 0.444998
C -5.491029 -1.153736 0.378937
C -5.072345 -1.691848 -0.857474
C -4.774109 -0.127748 1.040455
H 0.282592 -0.883039 -2.109075
H -0.237716 2.747342 -1.974918
H -0.067164 1.104097 -2.669322
H 1.444499 -3.054065 -2.019376
H 0.086286 4.046288 -0.475441
H 5.151187 -0.618457 1.397948
H 4.302273 3.062894 2.085035
H 3.295225 -4.493371 -1.201856
H 1.133089 5.812015 0.900583
H 6.307570 -2.860486 1.473442
H 3.245409 5.357765 2.187710
H 5.371919 -4.795981 0.170054
H -3.528093 -1.567265 -2.398658
H -3.019868 1.166868 0.921072
H -5.658662 -2.485573 -1.326636
H -5.142487 0.247666 1.998758


