%chk=000129968.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129968

0 1
 O    3.150000       1.553200      0.8900000    
 O   -1.462400      0.9466000     -0.1803000    
 N   -4.471700      0.3513000      0.4877000    
 N    7.416000      -1.417700      -1.246100    
 N    7.514200      -2.000600      0.9399000    
 N    8.649100      -1.720000     -0.8163000    
 N    8.754800      -2.070800      0.4729000    
 C    4.927500      2.1199999E-02  0.3882000    
 C    3.422900      0.1975000      0.5387000    
 C    5.291200      -1.411100     -4.9000001E-03
 C   -3.756600      0.5280000     -0.6470000    
 C   -5.748100      -1.340000     -0.6602000    
 C   -5.454400     -0.5690000      0.4840000    
 C    1.954800       2.067800      0.4916000    
 C   -2.676200       1.556700     -0.6006000    
 C  -0.3723000       1.766500     -4.9199998E-02
 C    6.773100      -1.612700     -0.1132000    
 C   0.8452000       1.233000      0.3582000    
 C   -3.969800     -0.1775000      -1.813900    
 C   -4.983000      -1.125100      -1.814500    
 C    1.839500       3.430500      0.2163000    
 C   -6.781000      -2.292200     -0.6284000    
 C   -6.214900     -0.7827000       1.630400    
 C  -0.4949000       3.123600     -0.3252000    
 C   0.6145000       3.958400     -0.1920000    
 C   -7.525500      -2.485300      0.5316000    
 C   -7.241900      -1.729400       1.662200    
 H    5.306400      0.7301000     -0.3595000    
 H    5.421800      0.2971000       1.328800    
 H    2.955500     -7.2499998E-02 -0.4173000    
 H    3.043500     -0.4596000       1.329800    
 H    4.896000      -2.111400      0.7414000    
 H    4.817100      -1.668400     -0.9603000    
 H   -2.987700       2.328300      0.1160000    
 H   -2.568100       2.005100      -1.597000    
 H   0.8895000      0.1727000      0.5892000    
 H   -3.374000     -1.0500000E-02  -2.704500    
 H   -5.172400      -1.696200      -2.720600    
 H    2.700400       4.085500      0.3179000    
 H   -7.011300      -2.889300      -1.508100    
 H   -6.012500     -0.2033000       2.529500    
 H   -1.411900       3.603200     -0.6482000    
 H   0.5262000       5.019500     -0.4064000    
 H   -8.322700      -3.222000      0.5524000    
 H   -7.817800      -1.873400       2.571800    
 H    9.455600      -1.685000      -1.430700    


%chk=000129968-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129968

0 1
O 3.371953 1.762037 0.078624
O -1.421486 0.957990 0.124879
N -5.059773 0.643452 0.114831
N 7.681353 -1.945212 -1.594803
N 7.793563 -1.414445 0.639495
N 8.955533 -2.004579 -1.093070
N 9.064481 -1.689728 0.255068
C 5.127588 0.139471 -0.206913
C 3.610552 0.325283 -0.127583
C 5.491889 -1.346617 -0.467575
C -3.757539 0.292722 0.119331
C -5.647633 -1.764944 -0.048269
C -6.010869 -0.363646 0.032595
C 2.041515 2.198859 0.180275
C -2.794116 1.462062 0.225943
C -0.378449 1.898266 0.215239
C 6.972003 -1.572379 -0.483548
C 0.921045 1.344174 0.101974
C -3.303408 -1.064726 0.041602
C -4.251201 -2.085496 -0.041546
C 1.874878 3.595888 0.371891
C -6.681586 -2.752825 -0.131131
C -7.395716 0.000004 0.026630
C -0.568787 3.286713 0.403665
C 0.575501 4.119392 0.480317
C -8.025020 -2.370717 -0.134649
C -8.382685 -0.985537 -0.055530
H 5.528001 0.775202 -1.017484
H 5.591083 0.477175 0.736763
H 3.117565 -0.005175 -1.066664
H 3.182410 -0.251769 0.719466
H 5.043261 -1.977150 0.324200
H 5.078444 -1.681250 -1.435863
H -2.944536 1.978111 1.196382
H -3.003612 2.187503 -0.585519
H 1.009865 0.264773 -0.043493
H -2.230148 -1.263062 0.048107
H -3.938546 -3.134724 -0.102176
H 2.761770 4.232479 0.430303
H -6.403702 -3.812168 -0.191973
H -7.643715 1.064134 0.088230
H -1.566582 3.723621 0.489849
H 0.441290 5.196630 0.627304
H -8.813252 -3.128806 -0.198125
H -9.440881 -0.701739 -0.059682
H 9.761401 -2.259146 -1.663263


