%chk=000079359.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079359

0 1
 O    8.573700      -1.441000      4.6000001E-03
 O    7.166300      -3.125800     -2.4000001E-03
 N    3.090500       1.709800     -1.2000001E-03
 N    7.403400      -1.893600      7.9999998E-04
 N    1.085200       2.287800     -1.5000000E-03
 N   -4.285600      0.7483000     -7.9999998E-04
 N    1.819300       1.276100     -6.9999998E-04
 N   -4.371700     -0.5022000      6.9999998E-04
 C    4.166000      0.8113000     -5.0000002E-04
 C    6.313600     -0.9832000      5.0000002E-04
 C    5.482400       1.285400      4.1000000E-03
 C    3.933400     -0.5687000     -4.4000000E-03
 C    6.552800      0.3911000      4.4000000E-03
 C    5.003800      -1.463100     -4.0000002E-03
 C  -0.2594000       1.902900     -1.2000001E-03
 C   -2.934900       1.136700     -8.9999998E-04
 C  -0.9300000       1.710100      -1.209100    
 C  -0.9299000       1.711600       1.206900    
 C   -2.271000       1.326200      -1.208900    
 C   -2.271000       1.327600       1.207000    
 C   -5.715500     -0.8893000      1.1000000E-03
 C   -6.385400      -1.083600      -1.206900    
 C   -6.386400      -1.080400       1.209100    
 C   -7.726000      -1.468800      -1.206900    
 C   -7.726900      -1.465600       1.209000    
 C   -8.396700      -1.659800      8.9999998E-04
 H    5.683100       2.354100      7.1999999E-03
 H    2.926100     -0.9772000     -8.2000000E-03
 H    7.559600      0.8009000      7.8999996E-03
 H    4.780000      -2.526800     -7.3000002E-03
 H  -0.4165000       1.857400      -2.155800    
 H  -0.4165000       1.860000       2.153400    
 H   -2.786000       1.178800      -2.154400    
 H   -2.786100       1.181300       2.152700    
 H    3.275900       2.705200      1.9999999E-04
 H   -5.871300     -0.9379000      -2.153400    
 H   -5.873000     -0.9321000       2.155600    
 H   -8.247600      -1.620100      -2.147500    
 H   -8.249300      -1.614600       2.149500    
 H   -9.440500      -1.959800      8.9999998E-04


%chk=000079359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079359

0 1
O 9.115150 -1.013858 0.002399
O 7.835618 -2.906761 0.024266
N 3.287609 1.590584 -0.013830
N 7.970497 -1.619319 0.010810
N 1.124214 2.021901 -0.014757
N -4.396743 0.711342 -0.001404
N 2.021578 1.062948 -0.007560
N -4.754672 -0.550949 0.003474
C 4.424757 0.774496 -0.007433
C 6.750632 -0.794712 0.004608
C 5.706444 1.397093 -0.015845
C 4.320902 -0.646651 0.007220
C 6.869938 0.614538 -0.009919
C 5.484591 -1.427873 0.013232
C -0.226168 1.573906 -0.010442
C -2.984134 0.921775 -0.004048
C -1.204287 2.605230 -0.014221
C -0.640304 0.203923 -0.003620
C -2.571225 2.281040 -0.010900
C -2.000843 -0.116485 -0.000510
C -6.168447 -0.770819 0.006249
C -6.563397 -2.135667 0.010270
C -7.156020 0.257154 0.005352
C -7.931880 -2.476003 0.013192
C -8.518566 -0.091756 0.008385
C -8.912205 -1.455624 0.012237
H 5.784859 2.490366 -0.027001
H 3.332699 -1.110753 0.013762
H 7.864529 1.067404 -0.016296
H 5.436513 -2.519871 0.024482
H -0.863905 3.645214 -0.019684
H 0.120996 -0.581828 -0.001174
H -3.342596 3.057275 -0.013623
H -2.343765 -1.155432 0.004536
H 3.368788 2.619811 -0.023526
H -5.780808 -2.901521 0.010942
H -6.828995 1.301302 0.002286
H -8.234508 -3.528542 0.016229
H -9.282758 0.693553 0.007793
H -9.976190 -1.717431 0.014568


