%chk=000057171.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057171

0 1
 O   0.2358000      0.5974000      0.6449000    
 O   -1.464700       1.356100       1.998300    
 N    2.923100       1.431200     -2.8999999E-02
 C    4.309100       1.191500     -0.4547000    
 C    2.693000       2.854700      0.2547000    
 C    2.599600      0.6173000       1.142400    
 C    4.648600       1.998400      -1.709100    
 C    2.979700       3.715900     -0.9761000    
 C    4.394100       3.486300      -1.496700    
 C    1.189100      0.9632000       1.637600    
 C    2.751500     -0.8629000      0.8380000    
 C    3.169200      -1.714300       1.842700    
 C    2.467400      -1.318000     -0.4350000    
 C   -1.971800      0.4648000     -0.2207000    
 C   -1.076600      0.8502000      0.9529000    
 C    3.308500      -3.073700       1.563300    
 C    2.606600      -2.677600     -0.7142000    
 C    3.027100      -3.555400      0.2850000    
 C   -1.848000     -0.9952000     -0.6361000    
 C   -3.424000      0.8800000     -2.2700001E-02
 C   -2.060700      -1.332100      -1.956800    
 C   -4.290400     -7.9999998E-04  0.5904000    
 C   -1.526600      -1.935100      0.3210000    
 C   -3.826600       2.123900     -0.4622000    
 C   -1.947300      -2.669200      -2.337400    
 C   -5.620100      0.3793000      0.7720000    
 C   -1.413000      -3.272300     -5.9799999E-02
 C   -5.156300       2.504000     -0.2803000    
 C   -1.623400      -3.639200      -1.389100    
 C   -6.053000       1.631700      0.3367000    
 H    4.521300      0.1472000     -0.6989000    
 H    5.007700       1.469600      0.3468000    
 H    3.302400       3.197800       1.100800    
 H    1.645600       3.072000      0.4774000    
 H    3.299800      0.8722000       1.952000    
 H    5.699300       1.840700      -1.978200    
 H    4.044400       1.639200      -2.551900    
 H    2.257300       3.479300      -1.768000    
 H    2.846000       4.775000     -0.7280000    
 H    5.118600       3.882500     -0.7747000    
 H    4.542900       4.031400      -2.435300    
 H   0.9849000      0.3435000       2.522600    
 H    1.056100       1.995000       1.975900    
 H    3.387900      -1.348500       2.841500    
 H    2.110800     -0.6681000      -1.228400    
 H   -1.579000       1.061100      -1.060100    
 H    3.634600      -3.757500       2.341500    
 H    2.379700      -3.054300      -1.707300    
 H    3.132900      -4.614200      6.8099998E-02
 H   -2.313700     -0.5835000      -2.701400    
 H   -3.986900     -0.9719000      0.9637000    
 H   -1.372200      -1.680300       1.364600    
 H   -3.135400       2.810900     -0.9409000    
 H   -2.111000      -2.955000      -3.372300    
 H   -6.317400     -0.2973000       1.257500    
 H   -1.162800      -4.028100      0.6790000    
 H   -5.493300       3.479700     -0.6182000    
 H   -1.535000      -4.680300      -1.685400    
 H   -7.087900       1.928400      0.4796000    


%chk=000057171-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057171

0 1
O 0.337679 0.332683 0.614498
O -1.187641 -0.508272 2.161755
N 2.915766 1.669554 0.078255
C 4.361121 1.886806 -0.202460
C 2.206313 2.954721 0.302641
C 2.737366 0.648327 1.146336
C 4.572450 2.792411 -1.431057
C 2.364039 3.894022 -0.912277
C 3.850715 4.144861 -1.243488
C 1.307268 0.580284 1.718241
C 3.179373 -0.739995 0.665751
C 3.898199 -1.601025 1.529857
C 2.820283 -1.200890 -0.625136
C -1.787562 -0.353697 -0.255956
C -0.891103 -0.218181 0.980141
C 4.251409 -2.906431 1.116616
C 3.173115 -2.503261 -1.040702
C 3.887652 -3.361702 -0.171263
C -2.304130 -1.783415 -0.481048
C -2.922103 0.688027 -0.155093
C -2.513151 -2.208818 -1.818451
C -4.018058 0.500902 0.723367
C -2.614473 -2.675997 0.576102
C -2.859702 1.866303 -0.939481
C -3.024843 -3.494328 -2.098304
C -5.035471 1.475805 0.810667
C -3.122331 -3.965102 0.295249
C -3.879664 2.841576 -0.854724
C -3.332573 -4.379637 -1.039146
C -4.971486 2.648583 0.021727
H 4.833300 0.903329 -0.372849
H 4.869809 2.349653 0.686310
H 2.588570 3.478064 1.220539
H 1.132431 2.751247 0.450747
H 3.361421 0.907863 2.047349
H 5.657601 2.943000 -1.589902
H 4.170754 2.278840 -2.325964
H 1.867501 3.425490 -1.784340
H 1.841105 4.846656 -0.700489
H 4.326360 4.704807 -0.411456
H 3.947328 4.770046 -2.151222
H 1.235779 -0.244322 2.448096
H 1.012347 1.517584 2.222342
H 4.188938 -1.248236 2.528264
H 2.277587 -0.518860 -1.287117
H -1.158125 -0.075346 -1.118317
H 4.810704 -3.562125 1.793677
H 2.888125 -2.852996 -2.039688
H 4.159541 -4.372836 -0.495087
H -2.278991 -1.525911 -2.644711
H -4.074963 -0.405322 1.334879
H -2.443298 -2.367051 1.612387
H -2.010737 2.020309 -1.617386
H -3.179602 -3.805172 -3.137776
H -5.879216 1.320932 1.492590
H -3.352173 -4.646313 1.122507
H -3.822148 3.746328 -1.470469
H -3.726886 -5.379573 -1.252433
H -5.764018 3.402400 0.088903


