%chk=000161339.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161339

0 1
 O  -0.8395000      -2.397300     -5.5900000E-02
 O  -0.8875000       2.354100     -4.4300001E-02
 N   -2.245700     -2.5200000E-02  -1.282600    
 C   -1.502300     -2.8200001E-02 -3.0999999E-02
 C   -2.415700     -3.8600001E-02   1.182900    
 C  -0.5492000      -1.215800     -2.8500000E-02
 C  -0.5736000       1.178500     -2.3100000E-02
 C   0.8220000     -0.7007000      8.5000005E-03
 C   0.8079000      0.6913000      1.1600000E-02
 C   -1.628000      5.5399999E-02   2.478700    
 C    2.004400      -1.414600      3.4100000E-02
 C    1.975500       1.428800      4.0800001E-02
 C   -1.345800      7.3899999E-02  -2.424000    
 C    3.195900     -0.6849000      6.4800002E-02
 C    3.181600      0.7233000      6.8099998E-02
 H   -3.018400     -0.9554000       1.201200    
 H   -3.116300      0.8053000       1.143500    
 H   -2.899100      0.7576000      -1.298500    
 H  -0.9313000     -0.7793000       2.601000    
 H   -1.070600      0.9933000       2.560300    
 H   -2.319800      2.2000000E-02   3.327700    
 H    2.018700      -2.498400      3.0800000E-02
 H    1.967700       2.512700      4.2500000E-02
 H  -0.8049000       1.023200      -2.485300    
 H   -1.959000      2.7000001E-02  -3.331800    
 H  -0.6457000     -0.7628000      -2.507700    
 H    4.147600      -1.209400      8.5800000E-02
 H    4.122500       1.266900      9.1600001E-02


%chk=000161339-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161339

0 1
O -0.804298 -2.400068 -0.254807
O -0.834153 2.454603 -0.221994
N -2.359575 0.022445 -1.292271
C -1.450102 0.025422 -0.137180
C -2.322897 -0.007597 1.156797
C -0.475064 -1.193042 -0.146186
C -0.477497 1.251830 -0.105585
C 0.916623 -0.674409 0.021468
C 0.918075 0.746257 0.037207
C -1.550762 0.006837 2.492155
C 2.117110 -1.404737 0.148406
C 2.120674 1.470797 0.180184
C -1.759202 0.015173 -2.641648
C 3.323077 -0.681836 0.288871
C 3.324874 0.741983 0.305408
H -2.946202 -0.917174 1.077839
H -2.996623 0.872184 1.110978
H -3.080101 0.747565 -1.182505
H -0.884837 -0.869528 2.591302
H -0.938100 0.919573 2.607146
H -2.263444 -0.022361 3.335322
H 2.101232 -2.499220 0.133206
H 2.108101 2.565358 0.190598
H -1.113093 0.894429 -2.869152
H -2.570969 -0.013459 -3.388880
H -1.160652 -0.903579 -2.775240
H 4.272998 -1.219103 0.385098
H 4.276209 1.274354 0.414665


