%chk=000111810.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111810

1 1
 O    2.140200      -1.090600     -0.8232000    
 N    6.517000      0.8198000      0.1422000    
 C    5.267800      0.2195000      0.7711000    
 C    4.281800     -0.1409000     -0.3268000    
 C   -3.373400      -1.077300      0.3738000    
 C    6.136200       2.052500     -0.6651000    
 C    7.497000       1.213800       1.237800    
 C    7.166700     -0.2063000     -0.7749000    
 C    3.028900     -0.7895000      0.2438000    
 C   -1.916200      -1.080500      5.7500001E-02
 C   -4.027400      0.3285000      0.1618000    
 C   -4.073800      -2.182800     -0.4920000    
 C   -3.750400      -1.471400       1.851900    
 C   -1.479700     -0.7456000      -1.224200    
 C  -0.9894000      -1.419100       1.043600    
 C   0.8006000      -1.088100     -0.5318000    
 C  -0.1165000     -0.7496000      -1.519900    
 C   0.3737000      -1.422900      0.7478000    
 C   -3.538000       1.361900      0.8974000    
 C   -5.038800      0.4162000     -0.7427000    
 C   -4.121300       2.614900      0.7089000    
 C   -5.622000       1.669200     -0.9314000    
 C   -5.163200       2.768500     -0.2056000    
 H    5.573600     -0.6626000       1.345900    
 H    4.848300      0.9633000       1.458600    
 H    4.696700     -0.8438000      -1.055200    
 H    3.953300      0.7363000     -0.8937000    
 H    5.507300       2.699300     -4.6300001E-02
 H    7.059000       2.578000     -0.9323000    
 H    5.626900       1.760600      -1.586800    
 H    7.756900      0.3164000       1.807000    
 H    8.390100       1.641800      0.7727000    
 H    7.013600       1.952100       1.884400    
 H    7.261500      -1.152900     -0.2347000    
 H    6.581500     -0.3246000      -1.689700    
 H    8.159700      0.1666000      -1.046800    
 H    2.582200     -8.3899997E-02  0.9567000    
 H    3.290600      -1.717500      0.7657000    
 H   -5.138400      -2.290000     -0.2504000    
 H   -3.977600      -2.007400      -1.569900    
 H   -3.611300      -3.160400     -0.3001000    
 H   -4.836500      -1.428900       2.005800    
 H   -3.432900      -2.495500       2.083600    
 H   -3.297400     -0.8075000       2.597100    
 H   -2.181700     -0.4748000      -2.008200    
 H   -1.275700      -1.694100       2.052700    
 H   0.2197000     -0.4869000      -2.518900    
 H    1.060300      -1.719700       1.534700    
 H   -2.724900       1.257500       1.606900    
 H   -5.434600     -0.3954000      -1.336500    
 H   -3.763100       3.471200       1.272900    
 H   -6.432700       1.790200      -1.644100    
 H   -5.616900       3.744200     -0.3530000    


%chk=000111810-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111810

1 1
O 2.045070 0.164877 -0.566352
N 6.970345 0.485871 0.045222
C 5.588610 0.115944 0.654902
C 4.384576 0.360396 -0.263434
C -3.529208 -1.134053 0.459384
C 7.016451 1.965898 -0.332481
C 8.041068 0.208675 1.102531
C 7.262594 -0.365112 -1.190022
C 3.081401 -0.098197 0.421411
C -2.036241 -0.767101 0.270729
C -4.420626 0.062753 0.035115
C -3.801580 -2.408384 -0.395422
C -3.871285 -1.473686 1.940377
C -1.609074 -0.205560 -0.966428
C -1.047794 -1.015444 1.250271
C 0.706242 -0.171567 -0.218076
C -0.258856 0.090745 -1.216779
C 0.319779 -0.722666 1.021169
C -4.175109 1.343403 0.602032
C -5.508680 -0.069560 -0.862904
C -4.989168 2.451080 0.287466
C -6.327583 1.039545 -1.183263
C -6.074111 2.303828 -0.609222
H 5.662563 -0.951451 0.932426
H 5.504688 0.709560 1.583400
H 4.464766 -0.202980 -1.210049
H 4.265526 1.429517 -0.512117
H 6.749145 2.570373 0.547669
H 8.036639 2.215282 -0.662275
H 6.306995 2.159667 -1.148538
H 8.006043 -0.855657 1.380782
H 9.031041 0.452972 0.688080
H 7.843696 0.832365 1.987654
H 7.195070 -1.429379 -0.917359
H 6.532798 -0.133434 -1.977564
H 8.277852 -0.133816 -1.546979
H 2.892527 0.474558 1.355002
H 3.119834 -1.180197 0.673762
H -4.834429 -2.773033 -0.249395
H -3.645280 -2.222165 -1.472947
H -3.113123 -3.215676 -0.088639
H -4.954329 -1.666103 2.031704
H -3.339156 -2.381238 2.281370
H -3.622101 -0.640179 2.621086
H -2.353994 0.017737 -1.738262
H -1.330298 -1.440012 2.218280
H 0.061112 0.525397 -2.168711
H 1.047048 -0.929319 1.813475
H -3.329386 1.473661 1.288600
H -5.731012 -1.037637 -1.322219
H -4.780233 3.427567 0.739081
H -7.163843 0.912233 -1.880020
H -6.709683 3.161501 -0.855427


