%chk=000150582.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150582

0 1
 O    2.674300       2.174200       1.820900    
 O    4.841500      -3.920700     -0.6396000    
 O    3.872000      -3.445600      -2.551000    
 N   -2.630900       1.466500      0.5309000    
 N    2.647400       3.016500     -0.3404000    
 N   -2.668900      -2.689500      0.5269000    
 N    4.206900      -3.133400      -1.382700    
 C   -1.420300       4.639300      -1.206700    
 C   -2.132800       3.751800     -0.1799000    
 C   7.6499999E-02   4.324000      -1.265000    
 C   -1.949200       2.262700     -0.4611000    
 C   0.8133000       4.618100      4.6799999E-02
 C   -2.643400      8.0499999E-02  0.5296000    
 C    2.318500       4.371100      7.1999999E-03
 C   -1.645100     -0.6227000       1.211400    
 C   -3.654700     -0.6028000     -0.1536000    
 C   -1.697300      -2.026500       1.183300    
 C   -3.628200      -2.007500     -0.1282000    
 C  -0.6172000      3.8199998E-02   1.906300    
 C   -4.670400      7.8100003E-02 -0.8469000    
 C  -0.7062000      -2.732200       1.860300    
 C   -4.632300      -2.693400     -0.8064000    
 C   0.3617000     -0.6906000       2.575100    
 C   -5.662600     -0.6311000      -1.517000    
 C    2.800900       2.013100      0.6099000    
 C   0.3168000      -2.078700       2.551800    
 C   -5.643200      -2.019800      -1.496600    
 C    3.167500      0.6704000      9.0800002E-02
 C    3.873600     -0.2214000      0.8982000    
 C    2.806100      0.3018000      -1.205000    
 C    4.218300      -1.481600      0.4099000    
 C    3.150700     -0.9585000      -1.693400    
 C    3.856800      -1.850200     -0.8860000    
 H   -1.860800       4.481300      -2.198200    
 H   -1.574600       5.693300     -0.9488000    
 H   -1.800800       3.993200      0.8364000    
 H   -3.204100       3.990500     -0.2026000    
 H   0.2554000       3.297800      -1.599200    
 H   0.5148000       4.959500      -2.046000    
 H  -0.8907000       1.989100     -0.4420000    
 H   -2.331900       2.028100      -1.461100    
 H   0.6387000       5.662700      0.3318000    
 H   0.3966000       3.997700      0.8482000    
 H   -2.672500       1.876400       1.460600    
 H    2.786100       5.020500     -0.7407000    
 H    2.758700       4.612000      0.9811000    
 H    2.822900       2.829100      -1.321500    
 H  -0.5499000       1.122200       1.947900    
 H   -4.718400       1.163700     -0.8778000    
 H  -0.7191000      -3.820600       1.856400    
 H   -4.639100      -3.781900     -0.8052000    
 H    1.154300     -0.1784000       3.111800    
 H   -6.446900     -0.1030000      -2.050500    
 H    1.076600      -2.656800       3.069500    
 H   -6.412900      -2.583100      -2.016000    
 H    4.166900      4.8900001E-02   1.909200    
 H    2.227800      0.9527000      -1.854100    
 H    4.768500      -2.150100       1.067100    
 H    2.846000      -1.214700      -2.705000    


%chk=000150582-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150582

0 1
O 2.955695 3.136105 1.203378
O 3.870108 -3.797024 0.873043
O 2.598414 -3.876974 -1.018471
N -1.941437 1.230466 0.908883
N 2.426953 3.237016 -1.057502
N -2.342235 -2.942728 -0.101306
N 3.191649 -3.233868 -0.071019
C -1.706689 4.748531 -0.744199
C -1.900970 3.671134 0.354953
C -0.314345 4.750000 -1.430191
C -1.701727 2.233806 -0.163515
C 0.854379 5.114607 -0.484908
C -2.103818 -0.138614 0.621196
C 2.243462 4.704224 -1.031562
C -1.235784 -1.126122 1.208364
C -3.154356 -0.587334 -0.249781
C -1.413028 -2.521367 0.815351
C -3.196603 -1.999354 -0.612291
C -0.180121 -0.808139 2.133234
C -4.202380 0.274258 -0.728750
C -0.546684 -3.520489 1.385774
C -4.206700 -2.447868 -1.536063
C 0.632003 -1.803325 2.673557
C -5.185049 -0.201435 -1.593893
C 2.753950 2.543449 0.094567
C 0.445643 -3.176719 2.298539
C -5.169236 -1.571214 -2.027178
C 2.867480 1.041620 -0.021504
C 3.709172 0.377982 0.908600
C 2.128172 0.279237 -0.964083
C 3.829230 -1.022395 0.893170
C 2.233803 -1.124826 -0.991170
C 3.086545 -1.753145 -0.060318
H -2.486086 4.608721 -1.520899
H -1.889886 5.745956 -0.296529
H -1.203201 3.858281 1.196745
H -2.922048 3.757216 0.773837
H -0.127900 3.753438 -1.878665
H -0.333956 5.465994 -2.276690
H -0.666874 2.115616 -0.554503
H -2.383525 2.038216 -1.006862
H 0.858714 6.206769 -0.298117
H 0.732707 4.631637 0.501601
H -1.373862 1.421388 1.740275
H 2.390122 5.084702 -2.059201
H 3.031571 5.129924 -0.384698
H 2.379217 2.741956 -1.948339
H 0.012031 0.231882 2.425376
H -4.256177 1.301006 -0.352418
H -0.706553 -4.553893 1.064017
H -4.191530 -3.507691 -1.808493
H 1.426527 -1.536793 3.379009
H -5.989341 0.462933 -1.928763
H 1.096035 -3.948041 2.724929
H -5.938775 -1.928915 -2.720341
H 4.246559 0.983689 1.644585
H 1.431184 0.767610 -1.655012
H 4.471205 -1.555771 1.598750
H 1.660047 -1.735125 -1.693398


