%chk=000030974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030974

0 1
 O    5.519100     -0.3771000       2.064900    
 O    6.974200      -1.144100      0.3035000    
 N   -1.353000      0.3801000     -0.1953000    
 N    1.332800       1.436800     -0.3634000    
 C  -0.1836000     -0.4627000      8.2400002E-02
 C   -1.063600       1.781600      0.1323000    
 C    1.043000      3.5200000E-02 -0.6901000    
 C   0.1632000       2.280200     -0.6390000    
 C   -2.522000     -9.4700001E-02  0.5423000    
 C    2.500900       1.911300      -1.102900    
 C   -2.897800      -1.523000      0.1766000    
 C   -3.707300      0.8516000      0.4211000    
 C    3.711500       1.087900     -0.7608000    
 C   -3.500400      -2.319200       1.129300    
 C   -3.850900       1.863500       1.348700    
 C   -2.624700      -1.980000      -1.096600    
 C   -4.603600      0.6701000     -0.6125000    
 C    3.974300      0.7802000      0.5707000    
 C    4.551600      0.6465000      -1.790900    
 C    5.096800      2.2600001E-02  0.8346000    
 C   -3.845000      -3.628600      0.7942000    
 C   -4.937500       2.731100       1.237700    
 C   -2.969300      -3.289600      -1.431700    
 C   -5.690200       1.537600     -0.7234000    
 C    5.681900     -0.1197000      -1.496600    
 C    5.927700     -0.4153000     -0.1713000    
 C   -3.579500      -4.113900     -0.4862000    
 C   -5.857100       2.568200      0.2016000    
 C    6.708500      -1.116800       1.720900    
 H  -0.3215000      -1.509700     -0.2000000    
 H   4.6900000E-02 -0.4592000       1.157500    
 H  -0.8926000       1.916300       1.208800    
 H   -1.871600       2.449100     -0.1821000    
 H   0.8669000     -8.4899999E-02  -1.768300    
 H    1.867700     -0.6343000     -0.4246000    
 H   0.3703000       3.312000     -0.3296000    
 H  -5.9900001E-02   2.300200      -1.714600    
 H   -2.250600     -0.1243000       1.610500    
 H    2.722700       2.952400     -0.8352000    
 H    2.310000       1.889100      -2.184100    
 H   -3.712600      -1.950000       2.128200    
 H   -3.151900       1.994500       2.169000    
 H   -2.177800      -1.358100      -1.866200    
 H   -4.500600     -0.1002000      -1.367200    
 H    3.344400       1.124700       1.383500    
 H    4.337000      0.8938000      -2.827300    
 H   -4.320900      -4.270200       1.530100    
 H   -5.069200       3.531700       1.959600    
 H   -2.768800      -3.665500      -2.430700    
 H   -6.403600       1.414600      -1.533100    
 H    6.339200     -0.4663000      -2.285800    
 H   -3.849300      -5.132900     -0.7477000    
 H   -6.702800       3.244200      0.1148000    
 H    6.596100      -2.147300       2.076800    
 H    7.565200     -0.6602000       2.229700    


%chk=000030974-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030974

0 1
O 5.743477 -0.128393 2.125450
O 7.414539 -0.716089 0.506478
N -1.365773 0.352258 -0.138695
N 1.370930 1.239296 -0.602931
C -0.205005 -0.563197 0.047697
C -0.933729 1.744806 0.163045
C 0.953883 -0.157429 -0.873663
C 0.221900 2.161203 -0.759548
C -2.551582 -0.066154 0.669112
C 2.553629 1.654567 -1.389469
C -3.000914 -1.493534 0.310162
C -3.733374 0.900636 0.479601
C 3.842000 0.968988 -0.940716
C -3.439141 -2.372228 1.329527
C -4.489680 1.322659 1.598942
C -3.040654 -1.935212 -1.036794
C -4.117411 1.344574 -0.811504
C 4.067664 0.743790 0.449731
C 4.829451 0.609962 -1.889726
C 5.282204 0.164959 0.813205
C -3.918241 -3.664448 1.014232
C -5.613954 2.164900 1.436765
C -3.513028 -3.226343 -1.355048
C -5.234947 2.189899 -0.976907
C 6.071136 0.030308 -1.503319
C 6.266525 -0.182292 -0.137969
C -3.958479 -4.096010 -0.331083
C -5.991714 2.600820 0.146670
C 7.016967 -0.868724 1.931324
H -0.514687 -1.594818 -0.187504
H 0.152748 -0.543353 1.107881
H -0.596375 1.837587 1.226220
H -1.784398 2.430040 0.013239
H 0.631598 -0.283957 -1.938824
H 1.815682 -0.825834 -0.697619
H 0.548405 3.184927 -0.495195
H -0.153441 2.179433 -1.814649
H -2.296357 -0.063643 1.761713
H 2.660268 2.750602 -1.254590
H 2.412976 1.483484 -2.487702
H -3.407229 -2.044063 2.376282
H -4.198167 0.991511 2.603779
H -2.679775 -1.264192 -1.824090
H -3.522393 1.034717 -1.677533
H 3.295532 1.008801 1.176532
H 4.634606 0.779887 -2.954965
H -4.254457 -4.332667 1.815240
H -6.189507 2.482296 2.313806
H -3.535136 -3.555710 -2.400350
H -5.518613 2.527680 -1.980393
H 6.833415 -0.241533 -2.237789
H -4.327735 -5.097677 -0.578557
H -6.861886 3.254356 0.017803
H 6.847238 -1.941516 2.144637
H 7.793708 -0.420632 2.570158


