%chk=000154361.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154361

0 1
 O    2.554900      -1.314700     -5.1700000E-02
 O   -3.156000      -2.075400     -0.4612000    
 N   -4.791500       2.193400     -0.1865000    
 N   -2.183600     -0.3156000      0.6940000    
 N   0.5971000     -0.1748000      1.2700000E-02
 C   -3.561200       1.427100     -0.3363000    
 C   -3.384900      0.4750000      0.8374000    
 C  -0.8640000      -2.240900      5.2999998E-03
 C   0.3414000      -1.524600     -7.6000001E-03
 C    1.537500      -2.225600     -4.7200002E-02
 C   -2.143100      -1.557100      4.5600001E-02
 C    1.910300     -0.1149000     -1.5300000E-02
 C  -0.7982000      -3.641600     -2.2800000E-02
 C    1.642900      -3.610700     -7.5900003E-02
 C   0.4314000      -4.310400     -6.2700003E-02
 C    2.768000       1.037900     -1.2500000E-02
 C   -4.987300       3.084900      -1.331500    
 C   -4.771500       2.964300       1.058300    
 C    4.156500      0.8805000     -4.5899998E-02
 C    2.219700       2.323100      2.4200000E-02
 C    4.989900       1.999000     -4.2300001E-02
 C    3.053200       3.441600      2.7600000E-02
 C    4.438300       3.279500     -5.5999998E-03
 H   -2.684300       2.083600     -0.4192000    
 H   -3.602500      0.8405000      -1.263300    
 H   -4.244100     -0.1994000      0.9277000    
 H   -3.257600       1.001200       1.787600    
 H   -1.334000      5.9700001E-02   1.104800    
 H   -1.710000      -4.235200     -1.0100000E-02
 H    2.598900      -4.118200     -0.1063000    
 H   0.4457000      -5.397600     -8.2599998E-02
 H   -5.031900       2.510200      -2.263400    
 H   -4.184300       3.825700      -1.420700    
 H   -5.941300       3.617200      -1.247300    
 H   -4.891100       2.324000       1.937600    
 H   -5.625600       3.651800       1.093900    
 H   -3.859700       3.563200       1.166100    
 H    4.625600     -9.9799998E-02 -7.5000003E-02
 H    1.143000       2.474400      5.0900001E-02
 H    6.068400       1.873400     -6.8200000E-02
 H    2.624000       4.438900      5.6299999E-02
 H    5.087100       4.150400     -2.7999999E-03


%chk=000154361-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000154361

0 1
O 2.731742 -1.400373 -0.241621
O -3.242340 -1.924048 0.281471
N -5.026441 2.198479 -0.004500
N -1.969114 0.007313 0.601311
N 0.859570 -0.137524 0.245847
C -3.899967 1.301808 -0.342665
C -3.132394 0.845018 0.926078
C -0.832615 -2.068130 -0.005090
C 0.455093 -1.474416 -0.010932
C 1.604540 -2.253651 -0.310847
C -2.113762 -1.330570 0.299848
C 2.183580 -0.122645 0.105696
C -0.888582 -3.448777 -0.310336
C 1.565665 -3.618468 -0.613169
C 0.275624 -4.205456 -0.605758
C 3.113173 0.991232 0.255718
C -6.136117 2.133334 -0.975761
C -4.607605 3.587135 0.264248
C 4.509534 0.809061 0.057897
C 2.611371 2.275736 0.604979
C 5.388415 1.900489 0.208686
C 3.496819 3.360321 0.753687
C 4.887311 3.177420 0.556383
H -3.181586 1.774485 -1.060597
H -4.300841 0.394150 -0.826924
H -3.831259 0.268929 1.556166
H -2.777784 1.716497 1.504923
H -1.020362 0.411030 0.580522
H -1.878597 -3.916404 -0.309013
H 2.466819 -4.193604 -0.839436
H 0.175953 -5.271431 -0.834381
H -6.476825 1.088647 -1.080708
H -5.864579 2.514939 -1.993393
H -6.987467 2.734109 -0.606325
H -3.838789 3.612361 1.056258
H -5.472881 4.174509 0.620971
H -4.188301 4.101955 -0.639145
H 4.890275 -0.180876 -0.210580
H 1.534648 2.403251 0.754799
H 6.463346 1.757330 0.055798
H 3.107129 4.347699 1.023004
H 5.573701 4.023136 0.672990


