%chk=000089449.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089449

0 1
 O   -2.139100     -0.2555000       1.898400    
 N    2.661300       2.527200     -3.7500001E-02
 C  -5.4800000E-02  0.2523000      1.6100001E-02
 C   -1.486600      0.2498000     -0.3581000    
 C    1.973000       1.589600      0.8493000    
 C   0.5421000       1.392900      0.4285000    
 C   0.7767000     -0.9784000     -4.0500000E-02
 C   -2.455300     -2.7999999E-03  0.5963000    
 C   -1.816100      0.5052000      -1.677600    
 C    1.447300      -1.275600      -1.208600    
 C   0.8511000      -1.783500       1.077000    
 C   -3.798400      3.0000001E-04  0.2192000    
 C    4.031800       2.751700      0.4204000    
 C    2.657000       2.027400      -1.412000    
 C   -3.159200      0.5081000      -2.054500    
 C   -4.150200      0.2556000      -1.106200    
 C    2.227400      -2.430600      -1.261900    
 C    1.631300      -2.938500       1.023600    
 C    2.319400      -3.262000     -0.1459000    
 C   -2.058700      0.8666000       2.774000    
 H    1.948700       2.004800       1.865300    
 H    2.527200      0.6474000      0.9200000    
 H  -6.4400002E-02   2.298800      0.4716000    
 H   -1.054700      0.7050000      -2.427000    
 H    1.374800     -0.6437000      -2.088900    
 H   0.3259000      -1.541300       1.996100    
 H    4.533000       3.491300     -0.2139000    
 H    4.628100       1.831900      0.4140000    
 H    4.036300       3.158600       1.437800    
 H    1.648200       1.959400      -1.831300    
 H    3.154800       1.055900      -1.501800    
 H    3.191700       2.729100      -2.063900    
 H   -4.576200     -0.1960000      0.9522000    
 H   -3.433200      0.7073000      -3.086400    
 H   -5.195800      0.2579000      -1.399800    
 H    2.761100      -2.683800      -2.173300    
 H    1.704300      -3.585300       1.893000    
 H    2.926600      -4.161500     -0.1874000    
 H   -3.028400       1.011100       3.259600    
 H   -1.776000       1.786500       2.252700    
 H   -1.310400      0.6516000       3.541900    


%chk=000089449-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089449

0 1
O -2.014416 -0.290536 2.053374
N 2.726480 2.758284 -0.178691
C 0.046794 0.213388 0.009962
C -1.434942 0.207176 -0.291440
C 2.110317 1.660918 0.614284
C 0.672462 1.412341 0.207700
C 0.737025 -1.121365 -0.006228
C -2.414481 -0.017722 0.713699
C -1.888486 0.405556 -1.621736
C 1.856464 -1.344244 -0.855910
C 0.251053 -2.206583 0.773505
C -3.792931 -0.041240 0.406315
C 3.994429 3.227074 0.413758
C 2.872706 2.425214 -1.608866
C -3.265066 0.389819 -1.939931
C -4.221572 0.161578 -0.923751
C 2.483207 -2.608208 -0.912368
C 0.884749 -3.467633 0.721926
C 2.002663 -3.675903 -0.119246
C -1.853673 0.908716 2.896532
H 2.109394 1.997607 1.672814
H 2.707803 0.719430 0.580196
H 0.070383 2.330596 0.137033
H -1.145138 0.568428 -2.410445
H 2.215754 -0.529159 -1.493780
H -0.608275 -2.044616 1.432237
H 4.368153 4.098619 -0.153278
H 4.800712 2.449107 0.418063
H 3.823069 3.546390 1.457625
H 1.892103 2.135995 -2.025909
H 3.592928 1.586397 -1.796729
H 3.233235 3.312685 -2.159417
H -4.508408 -0.234338 1.212945
H -3.587788 0.547114 -2.974883
H -5.290090 0.136649 -1.164859
H 3.338779 -2.761647 -1.580209
H 0.502621 -4.289710 1.337972
H 2.487433 -4.657847 -0.162600
H -2.804077 1.474968 2.957358
H -1.055428 1.563590 2.498656
H -1.574347 0.537914 3.894825


