%chk=000178711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178711

0 1
 O   -4.661600      0.8388000      8.4200002E-02
 O    5.618100     -0.2377000       1.695700    
 N   -2.219500     -0.6210000      6.9799997E-02
 C   -1.047200      -1.184900     -0.5963000    
 C   -3.457300      -1.190200     -0.4832000    
 C   -2.239200      0.8433000     -6.0800001E-02
 C   0.2710000     -0.6448000     -5.1000002E-03
 C   -4.670500     -0.5853000      0.2321000    
 C   -3.475300       1.410000      0.6467000    
 C    1.497200      -1.243500     -0.7306000    
 C   0.3786000     -0.9538000       1.494600    
 C   -5.972500      -1.104900     -0.3624000    
 C   -3.561400       2.920300      0.4739000    
 C    2.764700     -0.4408000     -0.5627000    
 C    3.608100     -0.7181000      0.5013000    
 C    3.061900      0.5581000      -1.476200    
 C    4.779600      2.3300000E-02  0.6561000    
 C    4.233200       1.299300      -1.321500    
 C    5.092100       1.031900     -0.2555000    
 H   -1.075300     -0.9743000      -1.673900    
 H   -1.055400      -2.277200     -0.4852000    
 H   -3.463800      -2.278100     -0.3456000    
 H   -3.517700     -0.9852000      -1.560600    
 H   -2.245400       1.131000      -1.120600    
 H   -1.374900       1.310900      0.4181000    
 H   0.3279000      0.4397000     -0.1452000    
 H   -4.650900     -0.8313000       1.301900    
 H   -3.445900       1.181300       1.720200    
 H    1.284800      -1.313000      -1.806400    
 H    1.667600      -2.280400     -0.4109000    
 H  -0.4793000     -0.5606000       2.049600    
 H    1.264100     -0.4913000       1.938900    
 H   0.4270000      -2.032900       1.676600    
 H   -6.057800     -0.8332000      -1.420400    
 H   -6.045300      -2.192800     -0.2716000    
 H   -6.830600     -0.6536000      0.1473000    
 H   -4.457900       3.309500      0.9685000    
 H   -2.685000       3.420700      0.8968000    
 H   -3.644900       3.190900     -0.5845000    
 H    3.375300      -1.509000       1.209000    
 H    2.398200      0.7757000      -2.308100    
 H    4.476100       2.085100      -2.030700    
 H    6.001600       1.616600     -0.1463000    
 H    6.377300      0.3685000       1.648100    


%chk=000178711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178711

0 1
O -4.880278 0.744310 0.109067
O 5.943318 -1.333861 1.249923
N -2.220953 -0.389214 -0.060582
C -1.009405 -0.953314 -0.701515
C -3.430090 -1.218296 -0.293087
C -2.481567 1.020530 -0.442484
C 0.320985 -0.421233 -0.107265
C -4.628673 -0.661735 0.500351
C -3.683444 1.583302 0.342550
C 1.514100 -0.986625 -0.938441
C 0.439753 -0.767689 1.391487
C -5.929520 -1.421397 0.240250
C -4.063648 3.002996 -0.079193
C 2.857479 -0.374341 -0.569155
C 3.814357 -1.111993 0.164312
C 3.164192 0.962638 -0.946071
C 5.050839 -0.525836 0.518915
C 4.400186 1.541240 -0.589780
C 5.356074 0.804274 0.146549
H -1.013888 -0.772519 -1.809236
H -1.035611 -2.052510 -0.557383
H -3.218990 -2.251524 0.041517
H -3.710481 -1.254564 -1.377937
H -2.693266 1.115207 -1.539731
H -1.589625 1.631668 -0.213768
H 0.342955 0.683340 -0.213311
H -4.366595 -0.684016 1.582394
H -3.434332 1.547305 1.427385
H 1.308221 -0.801124 -2.013057
H 1.549177 -2.085667 -0.802137
H -0.452378 -0.409496 1.933597
H 1.341930 -0.315320 1.839614
H 0.504341 -1.864914 1.532535
H -6.191532 -1.383824 -0.832164
H -5.834778 -2.479210 0.546288
H -6.755034 -0.963712 0.811466
H -4.940621 3.345866 0.495659
H -3.228583 3.703863 0.102586
H -4.323774 3.030650 -1.152361
H 3.616833 -2.144452 0.470953
H 2.436053 1.542842 -1.525399
H 4.630141 2.570115 -0.888620
H 6.318395 1.256520 0.420044
H 6.777537 -0.841279 1.450336


