%chk=000039025.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039025

0 1
 O    4.229100      -2.480800      0.1624000    
 O   -2.493300       4.268100      2.3600001E-02
 N   -2.554000      -2.460400     -0.1227000    
 N   8.9699998E-02  0.1326000      0.3649000    
 C   -3.162300      -3.132500      -1.270400    
 C   -3.673400      -1.860800      0.6033000    
 C   -1.557800      -1.476200     -0.5190000    
 C   -4.392800      -3.792100     -0.6657000    
 C   -4.730700      -2.954200      0.5637000    
 C  -0.9285000     -0.8381000      0.7160000    
 C    1.426300     -0.1399000      0.1928000    
 C  -0.1676000       1.467300      0.1584000    
 C    2.053800       1.061800     -0.1365000    
 C    1.046100       2.077800     -0.1582000    
 C    2.119900      -1.350600      0.3032000    
 C   -1.374400       2.172900      0.2281000    
 C    3.445500       1.054900     -0.3673000    
 C    1.055900       3.464300     -0.4190000    
 C    3.497600      -1.331800      7.0000000E-02
 C    4.152700     -0.1480000     -0.2604000    
 C   -1.339000       3.545000     -3.4200002E-02
 C    1.457600      -2.644400      0.6554000    
 C  -0.1429000       4.183200     -0.3532000    
 C    5.627600      -2.377400     -9.0200000E-02
 C   -3.685100       3.559100      0.3549000    
 H   -2.490500      -3.869700      -1.721300    
 H   -3.468400      -2.417800      -2.045200    
 H   -4.052600     -0.9603000      0.1030000    
 H   -3.428500      -1.612100       1.640500    
 H   -2.011200     -0.6947000      -1.145000    
 H  -0.7956000      -1.945800      -1.149100    
 H   -4.172900      -4.822600     -0.3628000    
 H   -5.223800      -3.821300      -1.377600    
 H   -5.739900      -2.534300      0.5026000    
 H   -4.680600      -3.579300       1.463000    
 H  -0.5397000      -1.555500       1.434900    
 H   -1.680900     -0.2917000       1.295800    
 H   -2.280600       1.634100      0.4702000    
 H    3.969400       1.971000     -0.6259000    
 H    1.980800       3.976200     -0.6691000    
 H    5.218000     -7.4000001E-02 -0.4518000    
 H   0.6325000      -2.890700     -8.0000004E-03
 H    2.142300      -3.494300      0.5557000    
 H    1.148200      -2.646800       1.704500    
 H  -0.1321000       5.251600     -0.5546000    
 H    6.127100      -1.738900      0.6467000    
 H    5.832200      -2.068900      -1.121200    
 H    6.049600      -3.381200      2.6799999E-02
 H   -3.931800       2.807400     -0.4027000    
 H   -4.503100       4.287200      0.3575000    
 H   -3.635500       3.134200       1.363300    


%chk=000039025-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039025

0 1
O 4.332197 -2.489163 0.159911
O -2.470545 4.392085 0.039786
N -2.689655 -2.415337 -0.111889
N 0.106213 0.102340 0.439022
C -3.192333 -3.228235 -1.251321
C -3.910484 -1.864929 0.539072
C -1.667939 -1.419183 -0.477276
C -4.380091 -3.997164 -0.632632
C -4.963776 -3.007658 0.431285
C -0.965360 -0.843172 0.777336
C 1.487984 -0.157997 0.220234
C -0.142287 1.470088 0.196741
C 2.115073 1.089742 -0.147425
C 1.084078 2.114721 -0.159760
C 2.221886 -1.370170 0.324643
C -1.368990 2.169775 0.278652
C 3.497187 1.130428 -0.413912
C 1.078561 3.503112 -0.435357
C 3.618521 -1.272737 0.045232
C 4.253136 -0.052417 -0.318531
C -1.336610 3.556771 0.000248
C 1.640906 -2.719973 0.715679
C -0.126628 4.221281 -0.354677
C 5.761577 -2.474620 -0.142109
C -3.746844 3.781091 0.404550
H -2.396256 -3.889609 -1.636910
H -3.545431 -2.583423 -2.097457
H -4.273371 -0.951398 -0.001529
H -3.706453 -1.577521 1.585677
H -2.095127 -0.577066 -1.081392
H -0.906648 -1.914281 -1.108805
H -4.014484 -4.913906 -0.139471
H -5.124027 -4.290539 -1.393276
H -5.944144 -2.605028 0.121983
H -5.104537 -3.515040 1.400490
H -0.567707 -1.673842 1.376288
H -1.697786 -0.313452 1.414283
H -2.300642 1.661579 0.540167
H 3.982915 2.071791 -0.692284
H 2.003301 4.022264 -0.709820
H 5.326545 -0.024117 -0.523450
H 0.731735 -2.970919 0.141461
H 2.386429 -3.507747 0.533265
H 1.381752 -2.759223 1.791307
H -0.170630 5.294464 -0.560904
H 6.316360 -1.811072 0.550028
H 5.953443 -2.160304 -1.186958
H 6.094383 -3.514183 -0.001739
H -4.042477 2.995756 -0.319742
H -4.478873 4.601880 0.377283
H -3.711649 3.347855 1.424100


