%chk=000112768.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112768

1 1
 O    2.637300      -2.500100      -1.472500    
 N   0.9935000       2.645200     -0.1932000    
 N    2.843900      -1.222800      0.4582000    
 C    1.854700       1.606300      0.4229000    
 C   0.5075000       3.648100      0.8626000    
 C    2.726900      0.9793000     -0.6571000    
 C  -0.2398000       2.011400     -0.8518000    
 C    1.762300       3.422900      -1.270700    
 C    3.610400     -0.1364000     -0.1084000    
 C  -0.2552000       2.907600       1.939300    
 C  -0.5490000      -2.127400      0.1122000    
 C   -1.852300      -1.547600      0.6695000    
 C   0.3880000      -2.666600       1.194700    
 C   -2.821600      -1.076200     -0.4168000    
 C    1.637000      -3.297600      0.5813000    
 C    2.419900      -2.319600     -0.2777000    
 C   -4.133600     -0.5755000      0.1916000    
 C   -5.119100     -0.1403000     -0.8927000    
 C   -6.411100      0.3893000     -0.2913000    
 H    1.222600      0.8583000      0.9128000    
 H    2.493200       2.084000       1.176100    
 H  -0.1266000       4.390300      0.3650000    
 H    1.390800       4.149300       1.274300    
 H    2.116500      0.5654000      -1.467900    
 H    3.428400       1.699400      -1.090700    
 H   8.0700003E-02   1.460100      -1.740400    
 H  -0.9286000       2.809500      -1.144500    
 H  -0.7128000       1.318900     -0.1535000    
 H    1.144100       4.277900      -1.565900    
 H    1.917300       2.800800      -2.156600    
 H    2.699100       3.789200     -0.8396000    
 H    4.264200      0.2460000      0.6829000    
 H    4.246600     -0.5317000     -0.9081000    
 H  -0.5651000       3.629800       2.704200    
 H   0.3436000       2.155700       2.459900    
 H   -1.175900       2.443400       1.577100    
 H  -4.7100000E-02  -1.345300     -0.4694000    
 H  -0.7915000      -2.936400     -0.5883000    
 H   -1.616800     -0.7090000       1.336600    
 H   -2.345300      -2.311400       1.283700    
 H  -0.1354000      -3.429000       1.784100    
 H   0.6496000      -1.860000       1.888400    
 H    2.646100      -1.180200       1.453000    
 H   -3.031300      -1.907200      -1.101200    
 H   -2.357400     -0.2809000      -1.010600    
 H    1.361000      -4.156800     -4.0899999E-02
 H    2.297000      -3.667900       1.374300    
 H   -3.926500      0.2677000      0.8620000    
 H   -4.585800      -1.368500      0.7996000    
 H   -4.666700      0.6408000      -1.515000    
 H   -5.347600     -0.9873000      -1.550100    
 H   -6.905400     -0.3777000      0.3135000    
 H   -6.219900       1.259000      0.3453000    
 H   -7.101300      0.6939000      -1.084200    


%chk=000112768-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112768

1 1
O 2.718730 -1.105758 -1.322928
N 1.556049 2.600490 -0.918635
N 2.593162 -1.103130 1.001959
C 1.955592 1.801274 0.349864
C 0.288065 3.455207 -0.626762
C 3.382825 1.226011 0.308839
C 1.286806 1.643787 -2.083167
C 2.669098 3.568262 -1.312496
C 3.550653 -0.001611 1.245253
C -0.912965 2.690144 -0.062911
C -0.831941 -1.885289 0.028563
C -2.180298 -1.911586 0.782703
C 0.184156 -2.918410 0.564325
C -3.193798 -0.864920 0.267074
C 1.514502 -2.957304 -0.234534
C 2.319271 -1.654964 -0.244065
C -4.553471 -0.913567 0.999836
C -5.560748 0.143691 0.492381
C -6.916096 0.084381 1.228703
H 1.221532 0.983530 0.437087
H 1.820868 2.490818 1.202438
H 0.029312 3.936119 -1.586668
H 0.614345 4.241450 0.076981
H 3.640786 0.883886 -0.705756
H 4.122886 1.984210 0.623631
H 2.105004 0.912214 -2.166022
H 1.186819 2.234627 -3.006868
H 0.356742 1.092387 -1.884909
H 2.302096 4.218804 -2.121578
H 3.541699 3.002132 -1.665152
H 2.945163 4.179845 -0.439543
H 3.436800 0.301287 2.302311
H 4.589087 -0.365800 1.117960
H -1.733849 3.416184 0.074563
H -0.711915 2.241540 0.923556
H -1.290404 1.907609 -0.741669
H -0.393837 -0.863873 0.097866
H -1.008521 -2.076305 -1.049904
H -2.004405 -1.749777 1.866767
H -2.625688 -2.923104 0.690785
H -0.268224 -3.927599 0.513402
H 0.370624 -2.731621 1.643106
H 2.273396 -1.625238 1.821049
H -3.358990 -1.017468 -0.820110
H -2.760209 0.153998 0.378839
H 1.311257 -3.201156 -1.291086
H 2.163236 -3.763197 0.163759
H -4.392762 -0.772452 2.089048
H -4.995987 -1.923890 0.881028
H -5.119229 1.155735 0.610747
H -5.723612 -0.000478 -0.595287
H -7.393813 -0.904752 1.100657
H -6.788460 0.256012 2.314016
H -7.617837 0.847716 0.846953


