%chk=000030352.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030352

1 1
 O    1.689600      -1.026500      0.3261000    
 N   -1.381500      8.2300000E-02  0.1571000    
 N   -1.245600      -1.848000     -0.8111000    
 N  -0.8200000       3.770200      0.1912000    
 C   -1.002300       1.380000      0.6859000    
 C   -2.644700     -0.4689000      0.2222000    
 C  -0.5507000     -0.7588000     -0.4675000    
 C   -2.556900      -1.715200     -0.4029000    
 C   -1.186800       2.472700     -0.3601000    
 C   0.8923000     -0.5416000     -0.7400000    
 C   -3.829800      1.2500000E-02  0.7659000    
 C   -3.648300      -2.566800     -0.5279000    
 C   -4.940000     -0.8358000      0.6475000    
 C   -4.851400      -2.094600      1.5900001E-02
 C   -1.022900       4.828900     -0.8001000    
 C   0.5717000       3.763300      0.6472000    
 C    3.049200     -0.8848000      0.2012000    
 C    3.574800     -0.2867000     -0.9370000    
 C    3.882200      -1.341700       1.214700    
 C    4.956500     -0.1434000      -1.064200    
 C    5.263800      -1.198200       1.087500    
 C    5.800900     -0.5991000     -5.1899999E-02
 H   -1.604000       1.590500       1.578400    
 H   3.0999999E-02   1.286700       1.033200    
 H  -0.6029000       2.237600      -1.259100    
 H   -2.239900       2.486800     -0.6681000    
 H  -0.8654000      -2.654500      -1.299200    
 H    1.081300      -1.101300      -1.663600    
 H    1.017500      0.5325000     -0.9013000    
 H   -3.895300      0.9799000       1.247000    
 H   -3.567000      -3.530000      -1.014600    
 H   -5.897200     -0.5153000       1.052800    
 H   -5.742200      -2.715200     -5.0299998E-02
 H   -2.069000       4.856100      -1.125000    
 H  -0.3897000       4.693600      -1.684600    
 H  -0.8055000       5.811100     -0.3656000    
 H   0.8931000       4.780000      0.9054000    
 H    1.261300       3.382200     -0.1151000    
 H   0.6967000       3.189100       1.570100    
 H    2.977700      8.6599998E-02  -1.761400    
 H    3.467400      -1.808800       2.103300    
 H    5.375900      0.3225000      -1.951200    
 H    5.921400      -1.553000       1.875600    
 H    6.876700     -0.4876000     -0.1509000    


%chk=000030352-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030352

1 1
O 1.591890 -0.900921 0.208927
N -1.316383 -0.069144 0.042752
N -1.393086 -1.968389 -1.103189
N -0.506394 3.628969 0.251161
C -0.827472 1.211802 0.612488
C -2.642692 -0.558320 0.145867
C -0.584372 -0.930509 -0.722024
C -2.691288 -1.780555 -0.588001
C -1.047311 2.411478 -0.357302
C 0.868698 -0.794514 -1.058508
C -3.777250 -0.052722 0.812029
C -3.870794 -2.543923 -0.690034
C -4.957855 -0.814975 0.712043
C -5.004110 -2.036342 -0.024457
C -1.261644 4.863834 -0.056625
C 0.954397 3.789653 0.089901
C 3.012769 -0.728443 0.152559
C 3.732004 -0.494459 -1.040249
C 3.662667 -0.812864 1.403431
C 5.137524 -0.337725 -0.965366
C 5.062541 -0.654455 1.457591
C 5.804983 -0.415017 0.275337
H -1.365863 1.400790 1.554312
H 0.238625 1.087167 0.857199
H -0.586753 2.171468 -1.350907
H -2.130908 2.542471 -0.531073
H -1.078516 -2.767160 -1.655981
H 1.168674 -1.593426 -1.767053
H 1.063996 0.185029 -1.543458
H -3.753095 0.880618 1.381028
H -3.913232 -3.482314 -1.250011
H -5.864449 -0.463102 1.213089
H -5.944629 -2.593079 -0.071043
H -2.329692 4.723907 0.184499
H -1.179704 5.179232 -1.123731
H -0.882320 5.687960 0.571517
H 1.299706 4.639968 0.701565
H 1.255149 3.980280 -0.968918
H 1.492737 2.892712 0.445444
H 3.241456 -0.438431 -2.017547
H 3.073828 -1.004298 2.305545
H 5.705274 -0.158016 -1.884165
H 5.573473 -0.720337 2.423522
H 6.891422 -0.294598 0.323336


