%chk=000162921.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162921

0 1
 O    4.325300     -0.7784000      4.8400000E-02
 O   -3.339200       2.271700      2.6000000E-03
 N   0.1048000       1.050600     -8.5000005E-03
 C   0.7220000     -0.2755000      1.8500000E-02
 C    1.636500     -0.3197000       1.275800    
 C    1.622900     -0.4362000      -1.239400    
 C    2.812900      0.6643000       1.228000    
 C    2.805600      0.5394000      -1.288900    
 C    3.660400      0.4812000     -2.6799999E-02
 C  -0.7182000       1.209700      -1.214900    
 C  -0.6877000       1.273000       1.208300    
 C  -0.3793000      -1.354500      1.6799999E-02
 C   -1.320700       2.616100      -1.291300    
 C   -1.289400       2.681900       1.226400    
 C   -2.103400       2.981600     -3.1199999E-02
 C  -0.9013000      -1.810600       1.223500    
 C  -0.8445000      -1.865200      -1.191300    
 C   -1.897900      -2.786600       1.222200    
 C   -1.841200      -2.841100      -1.192500    
 C   -2.367700      -3.301800      1.4300000E-02
 H    2.063400      -1.333400       1.332200    
 H    1.135800     -0.2146000       2.240700    
 H    1.118500     -0.3641000      -2.205100    
 H    2.039500      -1.455300      -1.231200    
 H    2.443500       1.694800       1.282100    
 H    3.435700      0.4975000       2.115500    
 H    3.421500      0.2897000      -2.161500    
 H    2.437700       1.561300      -1.438000    
 H    4.434100       1.255900     -6.1999999E-02
 H   -1.569100      0.5232000      -1.251100    
 H  -0.1505000       1.105400      -2.141600    
 H  -0.1035000       1.226500       2.128600    
 H   -1.535400      0.5886000       1.302300    
 H  -0.5112000       3.343400      -1.435200    
 H   -1.976200       2.675700      -2.168400    
 H   -1.918100       2.790000       2.118400    
 H  -0.4762000       3.414600       1.309100    
 H   -2.354900       4.047800     -6.1600000E-02
 H  -0.5690000      -1.443100       2.187700    
 H  -0.4893000      -1.542900      -2.161900    
 H    4.870600     -0.8702000     -0.7515000    
 H   -3.811700       2.542800      0.8080000    
 H   -2.308500      -3.145700       2.161400    
 H   -2.210200      -3.240600      -2.132700    
 H   -3.144200      -4.061100      1.3300000E-02


%chk=000162921-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162921

0 1
O 4.395481 -0.591814 0.087817
O -3.255194 2.625402 -0.269766
N -0.014249 0.982025 -0.014958
C 0.691518 -0.367551 0.023091
C 1.643412 -0.405020 1.262431
C 1.630037 -0.517203 -1.217678
C 2.714674 0.706403 1.231232
C 2.694561 0.598123 -1.301565
C 3.576539 0.640480 -0.037350
C -0.743733 1.321753 -1.269780
C -0.899432 1.256558 1.151504
C -0.342564 -1.530128 0.060464
C -1.088104 2.826539 -1.302289
C -1.248967 2.757841 1.217685
C -1.922459 3.244951 -0.082279
C -0.720044 -2.161787 1.276630
C -1.013283 -1.949224 -1.122917
C -1.713555 -3.165652 1.312411
C -2.008343 -2.950036 -1.094227
C -2.366467 -3.566935 0.125823
H 2.144876 -1.390590 1.268991
H 1.087738 -0.328371 2.213412
H 1.064586 -0.557140 -2.164492
H 2.134568 -1.496831 -1.117427
H 2.222849 1.696197 1.264365
H 3.375004 0.617409 2.113854
H 3.327458 0.447079 -2.200753
H 2.197466 1.580878 -1.410111
H 4.253860 1.521303 -0.080365
H -1.688275 0.739046 -1.368180
H -0.109045 1.090435 -2.140978
H -0.382816 0.972074 2.082314
H -1.841510 0.660756 1.096527
H -0.154012 3.420149 -1.310400
H -1.655475 3.058437 -2.222588
H -1.911352 2.948744 2.087533
H -0.319954 3.340526 1.373435
H -2.035770 4.350653 -0.058233
H -0.228127 -1.884173 2.214144
H -0.755850 -1.501006 -2.088146
H 4.940560 -0.692759 -0.733521
H -3.792662 2.770426 0.549877
H -1.973382 -3.636381 2.267880
H -2.502296 -3.248878 -2.026099
H -3.136065 -4.346609 0.150180


