%chk=000176694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176694

0 1
 O    3.786700       1.524800     -0.3642000    
 O    1.809800      -2.152100     -0.4749000    
 O  -0.1091000      -3.740800      0.1672000    
 O    2.819500      2.1400001E-02   1.081300    
 N   0.5346000     -0.1480000     -0.4223000    
 N   -2.949400      0.9313000     -0.9405000    
 C    1.562400      0.7711000     -0.8397000    
 C  -0.7974000      0.3826000     -0.1360000    
 C   -1.077000      0.7869000       1.130100    
 C   -1.701500      0.4512000      -1.140200    
 C    1.004200       2.184400     -0.9013000    
 C   0.7516000      -1.548600     -0.2744000    
 C   -2.351200       1.286800       1.374800    
 C    2.777500      0.7212000      7.4299999E-02
 C   -3.242600       1.337600      0.3152000    
 C  -9.7099997E-02  0.7214000       2.255700    
 C   -1.399400      7.8999996E-03  -2.535200    
 C  -0.4601000      -2.374100      0.1189000    
 C   -4.619200       1.867800      0.5411000    
 C    4.972900       1.527800      0.4370000    
 C   -1.215400      -4.560600      0.5329000    
 H    1.897900      0.4418000      -1.830700    
 H   0.7217000       2.587400      7.5999998E-02
 H    1.783000       2.864800      -1.270500    
 H   0.1749000       2.307500      -1.602200    
 H   -2.642900       1.629300       2.362700    
 H   0.3702000     -0.2652000       2.324300    
 H   0.6758000       1.486800       2.144700    
 H  -0.5882000      0.8950000       3.220100    
 H   -1.134100      -1.052200      -2.569800    
 H   -2.275400      0.1422000      -3.179700    
 H  -0.5857000      0.5936000      -2.971600    
 H  -0.8043000      -2.064500       1.110100    
 H   -1.258200      -2.247900     -0.6161000    
 H   -5.205700       1.846400     -0.3833000    
 H   -5.142900       1.261700       1.287100    
 H   -4.575400       2.904800      0.8889000    
 H    5.693300       2.208000     -2.5000000E-02
 H    5.408900      0.5248000      0.4716000    
 H    4.747400       1.887000       1.445700    
 H   -1.579900      -4.289100       1.528400    
 H  -0.8793000      -5.600600      0.5545000    
 H   -2.020000      -4.467500     -0.2029000    


%chk=000176694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176694

0 1
O 3.927090 0.892062 -0.662357
O 1.986831 -1.720705 -0.502111
O 0.168471 -3.656738 0.101634
O 2.777334 0.702741 1.354364
N 0.458363 0.008439 -0.308020
N -3.082961 1.008165 -1.009129
C 1.533316 0.923410 -0.796445
C -0.888717 0.478645 -0.067156
C -1.317952 0.857594 1.237231
C -1.799114 0.563054 -1.163305
C 1.096905 2.403209 -0.825651
C 0.815367 -1.343849 -0.217805
C -2.652050 1.316555 1.365287
C 2.776271 0.787556 0.105118
C -3.506337 1.385130 0.239484
C -0.414686 0.765109 2.449922
C -1.391439 0.149384 -2.562994
C -0.292779 -2.291798 0.263010
C -4.932820 1.881936 0.354706
C 5.205790 0.770140 0.079101
C -0.808969 -4.614936 0.616263
H 1.847485 0.599134 -1.805734
H 0.827020 2.763031 0.181668
H 1.936494 3.012073 -1.202399
H 0.233989 2.556782 -1.494629
H -3.026530 1.625656 2.348154
H 0.653457 0.729800 2.178178
H -0.584577 1.619671 3.128834
H -0.640501 -0.151646 3.030121
H -1.063932 -0.906494 -2.600061
H -2.251332 0.281594 -3.236770
H -0.546301 0.753402 -2.942481
H -0.517527 -2.067712 1.331829
H -1.228912 -2.114571 -0.313078
H -5.424600 1.820362 -0.628076
H -5.511236 1.281618 1.081357
H -4.964193 2.932127 0.700662
H 5.985763 0.934339 -0.677132
H 5.281286 -0.239383 0.515527
H 5.259181 1.523527 0.883074
H -0.989029 -4.471179 1.703654
H -0.372383 -5.611027 0.447106
H -1.780636 -4.542104 0.081152


