%chk=000052556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052556

0 1
 O   -7.092000      0.1556000     -0.4846000    
 N  -0.8000000     -0.4385000     -0.1284000    
 N    4.890600      -1.785500      2.5400000E-02
 C    1.544200     -0.6712000     -0.9191000    
 C    2.957100     -0.8444000     -0.5250000    
 C    3.901500      0.1910000     -0.2785000    
 C   0.5914000     -0.5802000      0.2869000    
 C    5.106200     -0.4264000      6.4900003E-02
 C    3.594800      -2.047900     -0.3302000    
 C   -1.681600     -0.3650000       1.027900    
 C    3.846900       1.598500     -0.3145000    
 C    6.263700      0.2964000      0.3752000    
 C   -3.125500     -0.2260000      0.6244000    
 C    4.996900       2.334500     -6.5000001E-03
 C    6.185600       1.691400      0.3327000    
 C   -3.893400      -1.365500      0.4315000    
 C   -3.667300       1.039800      0.4512000    
 C   -5.230900      -1.236600      5.7599999E-02
 C   -5.004900       1.168800      7.7200003E-02
 C   -5.786900      3.0500000E-02 -0.1195000    
 C   -7.596400       1.480300     -0.6484000    
 H    1.438200      0.2290000      -1.538200    
 H    1.238900      -1.511800      -1.556800    
 H   0.8857000      0.2720000      0.9132000    
 H   0.7047000      -1.485800      0.8965000    
 H    3.244500      -3.067500     -0.4114000    
 H  -0.8975000      0.4065000     -0.6913000    
 H    5.588500      -2.487300      0.2296000    
 H   -1.406300      0.4822000       1.670100    
 H   -1.572900      -1.264500       1.648200    
 H    2.928200       2.116000     -0.5756000    
 H    7.189600     -0.2033000      0.6394000    
 H    4.960500       3.420400     -3.2299999E-02
 H    7.066800       2.282600      0.5685000    
 H   -3.470100      -2.357000      0.5651000    
 H   -3.065500       1.932000      0.6004000    
 H   -5.834900      -2.126900     -9.4700001E-02
 H   -5.372300       2.182200     -4.3600000E-02
 H   -7.083900       2.008500      -1.459600    
 H   -7.570600       2.039900      0.2928000    
 H   -8.648400       1.391900     -0.9390000    


%chk=000052556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052556

0 1
O -7.129735 0.032549 -0.782489
N -0.715353 -0.292046 -0.043300
N 5.052003 -1.973907 0.184158
C 1.569616 -0.948565 -0.776207
C 3.027283 -1.079963 -0.409647
C 3.989674 0.000589 -0.251102
C 0.695718 -0.400928 0.380747
C 5.250511 -0.589967 0.120971
C 3.715202 -2.262381 -0.137586
C -1.644762 0.175724 1.009594
C 3.911799 1.411842 -0.397836
C 6.411172 0.182238 0.349986
C -3.090582 0.181749 0.528849
C 5.065320 2.187775 -0.173209
C 6.301680 1.579609 0.198838
C -3.598487 -0.891183 -0.253406
C -3.967742 1.236093 0.868628
C -4.939908 -0.910300 -0.673175
C -5.323201 1.233008 0.460287
C -5.808955 0.151876 -0.314136
C -8.066976 1.101080 -0.433738
H 1.462166 -0.271721 -1.650341
H 1.154195 -1.925937 -1.083097
H 1.122480 0.568904 0.739700
H 0.747739 -1.102250 1.236336
H 3.350786 -3.288321 -0.153499
H -0.815633 0.264770 -0.904258
H 5.764309 -2.662540 0.414345
H -1.386562 1.190734 1.404555
H -1.535057 -0.521651 1.866874
H 2.968897 1.891356 -0.684972
H 7.363964 -0.279602 0.633013
H 5.019258 3.276953 -0.284254
H 7.181543 2.210426 0.368415
H -2.917003 -1.701334 -0.533039
H -3.593797 2.079057 1.463525
H -5.339607 -1.732010 -1.275746
H -5.973742 2.066410 0.742184
H -7.744267 2.075022 -0.851735
H -8.186423 1.192006 0.663902
H -9.024320 0.803533 -0.886637


