%chk=000129461.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129461

0 1
 O   -2.649200      -1.833000     -0.7644000    
 O   -4.711800       2.015400     -0.2859000    
 O   -3.314500       1.323800       1.366400    
 N   0.8507000      0.8495000      0.4243000    
 C   0.7694000      -2.920700      0.1025000    
 C    1.295200      -1.618900      0.7753000    
 C   0.4583000     -0.4592000      0.3686000    
 C  -0.7813000      -3.013900      0.1969000    
 C  -0.8291000     -0.5038000     -0.1207000    
 C   -1.515500      -1.766700     -0.2978000    
 C   -1.228300      0.8286000     -0.3797000    
 C  -0.1714000       1.644500     -3.1700000E-02
 C    1.383500      -4.133100      0.8268000    
 C    1.209800      -2.976300      -1.376000    
 C    2.137700       1.325800      0.8842000    
 C   -2.528100       1.274600     -0.9218000    
 C    3.155100       1.419200     -0.2519000    
 C  -4.7499999E-02   3.117000     -9.4400004E-02
 C    4.508200       1.912900      0.2579000    
 C   -3.528600       1.543900      0.1809000    
 C    5.537400       1.970400     -0.8595000    
 H    2.349100      -1.468200      0.5166000    
 H    1.238400      -1.713500       1.867400    
 H   -1.086700      -3.164500       1.240200    
 H   -1.143000      -3.872900     -0.3813000    
 H    1.095700      -4.151200       1.883900    
 H    1.049800      -5.074400      0.3758000    
 H    2.478000      -4.108500      0.7801000    
 H   0.8701000      -3.903200      -1.852100    
 H   0.8087000      -2.141700      -1.959700    
 H    2.301800      -2.942300      -1.461600    
 H    1.999000       2.298900       1.366600    
 H    2.490600      0.6455000       1.667700    
 H   -2.952000      0.5207000      -1.592500    
 H   -2.409700       2.192900      -1.506900    
 H    2.788600       2.095600      -1.033300    
 H    3.277100      0.4372000     -0.7254000    
 H  -0.9405000       3.586300     -0.5168000    
 H   8.9400001E-02   3.538500      0.9068000    
 H   0.7993000       3.416900     -0.7191000    
 H    4.398100       2.910300      0.6993000    
 H    4.874400       1.246500       1.047600    
 H    6.497100       2.327200     -0.4729000    
 H    5.695100      0.9803000      -1.299200    
 H    5.216300       2.652100      -1.653700    
 H   -5.356800       2.166000      0.4378000    


%chk=000129461-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129461

0 1
O -2.676118 -2.012904 -0.799935
O -4.681211 2.335780 -0.469842
O -3.168188 2.302194 1.286961
N 0.845646 0.781824 0.473911
C 0.808654 -3.036918 0.095032
C 1.316832 -1.738232 0.809213
C 0.482893 -0.555446 0.404509
C -0.744517 -3.123313 0.223607
C -0.833018 -0.615791 -0.100825
C -1.513984 -1.891868 -0.286758
C -1.275425 0.740787 -0.354721
C -0.225370 1.589399 0.003287
C 1.448737 -4.270079 0.778852
C 1.217053 -3.014585 -1.402240
C 2.159964 1.288837 0.909419
C -2.638346 1.135481 -0.859275
C 3.173454 1.442329 -0.249919
C -0.157906 3.089441 0.002664
C 4.538037 1.978099 0.239106
C -3.457689 1.961650 0.119673
C 5.555335 2.143268 -0.910205
H 2.389256 -1.589356 0.571400
H 1.255704 -1.891693 1.908984
H -1.012769 -3.252786 1.294339
H -1.129674 -4.010155 -0.312473
H 1.163023 -4.332616 1.846115
H 1.124998 -5.205181 0.285678
H 2.553487 -4.225417 0.722451
H 0.835826 -3.913704 -1.920565
H 0.813066 -2.128210 -1.922478
H 2.318763 -3.004039 -1.506643
H 2.009707 2.263824 1.407418
H 2.563409 0.598069 1.672158
H -3.211014 0.214467 -1.086110
H -2.594600 1.704784 -1.808668
H 2.755468 2.126027 -1.014830
H 3.311775 0.462344 -0.748440
H -0.976531 3.496909 -0.613528
H -0.286499 3.508716 1.019539
H 0.792271 3.475207 -0.412216
H 4.389765 2.953582 0.745998
H 4.951739 1.289432 1.004049
H 6.522350 2.528897 -0.539782
H 5.746967 1.177024 -1.413114
H 5.179706 2.849551 -1.673960
H -5.213126 2.848872 0.197467


