%chk=000158954.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158954

0 1
 O   -2.032600      -2.777900      0.1729000    
 N   -1.566200      -1.777800     -0.6351000    
 N    1.748900       1.834800     -0.2950000    
 C  -0.7827000     -0.7237000      9.0599999E-02
 C   -1.731900      0.2217000      0.9311000    
 C   -2.134700       1.285800     -0.1148000    
 C   -2.767100      0.5383000      -1.354200    
 C   -2.768900      -1.047600      -1.356200    
 C   0.5497000     -2.2299999E-02  3.0600000E-02
 C  -0.7753000       2.059700     -0.4418000    
 C   -2.903000     -0.3856000       1.702400    
 C   0.4791000       1.346100     -0.2576000    
 C  -0.6806000      -2.394400      -1.681100    
 C    1.905300     -0.3713000      0.1882000    
 C    2.640000      0.8071000     -2.2900000E-02
 C   -3.708700      0.6831000       2.414500    
 C  -0.7967000       3.345000     -0.8244000    
 C    2.595500      -1.561300      0.4864000    
 C    4.037800      0.8369000      5.3100001E-02
 C    3.992200      -1.538700      0.5635000    
 C    4.700100     -0.3579000      0.3497000    
 H  -0.4640000      -1.415300      0.8964000    
 H   -1.133600      0.7143000       1.716600    
 H   -2.845200       2.019100      0.2794000    
 H   -2.251800      0.8679000      -2.265400    
 H   -3.807500      0.8677000      -1.466700    
 H   -3.679300      -1.426800     -0.8821000    
 H   -2.787300      -1.412200      -2.389600    
 H   -2.504600      -1.083000       2.449700    
 H   -3.597300     -0.9559000       1.088500    
 H  -0.3428000      -1.601600      -2.353400    
 H   0.1566000      -2.871600      -1.165400    
 H   -1.273700      -3.142800      -2.214100    
 H    2.017400       2.792600     -0.4748000    
 H   -3.067900       1.353900       2.995700    
 H   -4.302700       1.280200       1.716700    
 H   -4.413000      0.2136000       3.109900    
 H   -1.740000       3.870000     -0.9394000    
 H   0.1029000       3.911200      -1.039700    
 H    2.058000      -2.489800      0.6564000    
 H    4.592700       1.754600     -0.1119000    
 H    4.530400      -2.454600      0.7933000    
 H    5.785200     -0.3642000      0.4150000    


%chk=000158954-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158954

0 1
O -2.120764 -2.754616 0.196857
N -1.524616 -1.676634 -0.530157
N 1.669170 1.804166 -0.612822
C -0.907371 -0.620974 0.535280
C -1.982498 0.451852 0.856583
C -2.132947 1.341088 -0.431361
C -2.345540 0.464397 -1.719894
C -2.609862 -1.014414 -1.403810
C 0.351581 0.078578 0.109687
C -0.865046 2.184648 -0.611191
C -3.304425 -0.110581 1.464282
C 0.344456 1.391906 -0.402026
C -0.433822 -2.251039 -1.413932
C 1.737575 -0.321319 0.244142
C 2.543090 0.780038 -0.225752
C -3.342175 0.045176 3.001018
C -0.889326 3.510601 -0.936542
C 2.388075 -1.485347 0.734575
C 3.953822 0.733707 -0.239971
C 3.795003 -1.533723 0.730534
C 4.569736 -0.438923 0.243458
H -0.739632 -1.308724 1.380592
H -1.529133 1.107228 1.628791
H -2.995058 2.018428 -0.293548
H -1.464630 0.554577 -2.383036
H -3.205470 0.847525 -2.299709
H -3.537039 -1.157838 -0.835209
H -2.677794 -1.624306 -2.320951
H -3.392329 -1.186341 1.214662
H -4.174329 0.416520 1.022045
H 0.017279 -1.483302 -2.067010
H 0.333201 -2.689502 -0.762284
H -0.907981 -3.052240 -2.000119
H 1.948209 2.703757 -0.997808
H -2.493932 -0.487403 3.471166
H -3.285413 1.108018 3.305886
H -4.272321 -0.380378 3.420377
H -1.837211 4.041147 -1.071594
H 0.020824 4.109846 -1.063841
H 1.806269 -2.329915 1.121426
H 4.553683 1.575251 -0.603805
H 4.308315 -2.424383 1.108816
H 5.663076 -0.509251 0.251194


