%chk=000114421.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114421

0 1
 O   0.4429000     -0.5653000       1.628400    
 N   -4.397300      -1.442200      0.1527000    
 C   0.4270000     -0.2416000      0.2017000    
 C  -0.6627000      -1.069700     -0.4692000    
 C    1.806900     -0.6029000     -0.2656000    
 C   -2.020400     -0.8453000      0.1944000    
 C    2.516600      -1.182000      0.7774000    
 C   0.1387000       1.218500      8.9000002E-02
 C    1.663600      -1.255700       1.985100    
 C   -3.113100      -1.651800     -0.5053000    
 C    2.385300     -0.4410000      -1.515900    
 C    3.820900      -1.614000      0.6097000    
 C  -0.4192000       1.729600      -1.082200    
 C   0.4269000       2.069700       1.155100    
 C    3.701800     -0.8683000      -1.699900    
 C    4.415900      -1.451100     -0.6425000    
 C  -0.6889000       3.094100      -1.187600    
 C   0.1571000       3.434200       1.049700    
 C  -0.4009000       3.946300     -0.1217000    
 C   -5.443000      -2.238100     -0.4925000    
 C   -4.758200     -2.3399999E-02  0.1390000    
 H  -0.7188000     -0.9192000      -1.553100    
 H  -0.4193000      -2.135500     -0.3454000    
 H   -1.978500      -1.137500       1.251200    
 H   -2.258700      0.2188000      0.1615000    
 H    1.413200      -2.288600       2.243300    
 H    2.111400     -0.7446000       2.841600    
 H   -3.160400      -1.373900      -1.566600    
 H   -2.847100      -2.715400     -0.4597000    
 H    1.836600      3.1000001E-03  -2.339300    
 H    4.370500      -2.069600       1.426200    
 H  -0.6338000       1.113300      -1.948400    
 H   0.8768000       1.715200       2.077800    
 H    4.177200     -0.7512000      -2.669900    
 H    5.439000      -1.780600     -0.8016000    
 H   -1.117100       3.494600      -2.101900    
 H   0.3850000       4.099000       1.877800    
 H  -0.6088000       5.009100     -0.2046000    
 H   -5.189700      -3.303800     -0.4617000    
 H   -5.596000      -1.949500      -1.538800    
 H   -6.394800      -2.128700      3.9299998E-02
 H   -5.797100      0.1084000      0.4662000    
 H   -4.668100      0.4248000     -0.8573000    
 H   -4.168300      0.5561000      0.8556000    


%chk=000114421-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114421

0 1
O 0.490492 -0.445605 1.723986
N -4.486600 -1.516132 0.150192
C 0.436464 -0.099806 0.262828
C -0.684870 -0.957931 -0.397109
C 1.816923 -0.539542 -0.244343
C -2.090702 -0.699519 0.182943
C 2.466094 -1.322789 0.736922
C 0.206500 1.413131 0.134103
C 1.585591 -1.414217 1.966001
C -3.141307 -1.622747 -0.465778
C 2.431391 -0.293246 -1.486978
C 3.737284 -1.877409 0.494230
C -0.207317 1.981108 -1.099003
C 0.451260 2.274281 1.231508
C 3.710030 -0.847289 -1.737696
C 4.358244 -1.634941 -0.755522
C -0.365549 3.378402 -1.233013
C 0.289238 3.671472 1.099801
C -0.116335 4.231349 -0.133404
C -5.378028 -2.605455 -0.297323
C -5.112428 -0.191855 -0.037952
H -0.679484 -0.783263 -1.492343
H -0.409366 -2.022017 -0.254126
H -2.075542 -0.877592 1.273266
H -2.357443 0.362297 0.027806
H 1.164207 -2.432441 2.105103
H 2.095028 -1.115557 2.900916
H -3.180733 -1.419126 -1.572038
H -2.809634 -2.673914 -0.348960
H 1.942630 0.332895 -2.241305
H 4.243731 -2.481756 1.255640
H -0.421126 1.337324 -1.960308
H 0.752778 1.829964 2.183869
H 4.205919 -0.658914 -2.696412
H 5.349842 -2.053000 -0.962082
H -0.686417 3.799152 -2.192911
H 0.478118 4.322955 1.960858
H -0.240953 5.315345 -0.235392
H -4.917913 -3.582676 -0.064534
H -5.597795 -2.580567 -1.396718
H -6.340771 -2.544606 0.241736
H -6.100553 -0.180719 0.455959
H -5.261429 0.073928 -1.117503
H -4.496370 0.595328 0.427086


