%chk=000131432.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131432

0 1
 O   -2.099900       1.540700      -1.116200    
 O   -4.898100       2.204300      0.3060000    
 O   -2.964900       3.186600       1.958200    
 O   3.5300002E-02   3.383600      -1.257600    
 O    1.535200     -0.8074000      0.8878000    
 N   -2.914600     -0.6446000     -0.6736000    
 N   -3.137600      -2.859600     -0.8227000    
 N  -0.6287000     -0.5120000      0.1382000    
 N   0.3469000      -2.732400      0.4115000    
 N  -0.8642000      -4.737100     -7.9599999E-02
 C   -3.792600       1.343300      0.5736000    
 C   -3.266100      0.7747000     -0.7453000    
 C   -2.604000       2.123700       1.102500    
 C   -1.946800       2.615900     -0.1753000    
 C  -0.4747000       2.948200     -9.4999997E-03
 C   -1.721400      -1.175000     -0.2692000    
 C   -3.731800      -1.697300     -0.9950000    
 C   -1.880300      -2.548000     -0.3694000    
 C  -0.7909000      -3.335200     -1.0100000E-02
 C   0.3571000      -1.378200      0.4588000    
 C    2.583700      -1.701000       1.229500    
 C    3.803000     -0.9118000       1.693600    
 C    4.345900     -7.1999999E-03  0.6142000    
 C    5.312200     -0.4899000     -0.2543000    
 C    3.868700       1.290000      0.5108000    
 C    5.814200      0.3460000      -1.251800    
 C    4.370800       2.125800     -0.4867000    
 C    5.343500       1.653800      -1.368100    
 H   -4.138700      0.5865000       1.284900    
 H   -3.992500      0.8736000      -1.560600    
 H   -1.937900       1.443200       1.645900    
 H   -2.471900       3.488000     -0.5858000    
 H   0.1124000       2.081400      0.3060000    
 H  -0.3283000       3.751200      0.7185000    
 H   -5.609700       1.655500     -6.5899998E-02
 H   -2.150200       3.652300       2.211900    
 H   -4.745100      -1.555500      -1.345400    
 H  -9.6400000E-02   2.662000      -1.896100    
 H   -1.712500      -5.189400     -0.3926000    
 H  -5.9500001E-02  -5.287200      0.1883000    
 H    2.264600      -2.356200       2.049800    
 H    2.853800      -2.315700      0.3610000    
 H    3.537800     -0.3017000       2.566800    
 H    4.587300      -1.601800       2.028300    
 H    5.683500      -1.507400     -0.1728000    
 H    3.111100       1.668000       1.191100    
 H    6.571200     -2.1600001E-02  -1.938500    
 H    4.003400       3.143800     -0.5777000    
 H    5.734000       2.304500      -2.145000    


%chk=000131432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131432

0 1
O -2.390886 1.708369 -1.275359
O -4.601397 2.122540 0.981750
O -2.469353 3.359266 1.925902
O 0.049413 3.104287 -1.959584
O 1.243752 -0.933339 1.744470
N -2.832501 -0.597942 -0.703708
N -2.753025 -2.745413 -1.528079
N -0.749944 -0.617058 0.656896
N 0.413934 -2.777591 0.523260
N -0.408020 -4.604707 -0.725707
C -3.402738 1.298212 0.891052
C -3.296216 0.789754 -0.567198
C -2.132104 2.184460 1.099367
C -1.762095 2.670753 -0.317742
C -0.256053 2.678519 -0.590801
C -1.676146 -1.179546 -0.167469
C -3.427574 -1.586795 -1.518909
C -1.649140 -2.501577 -0.686778
C -0.543608 -3.312585 -0.299960
C 0.266010 -1.485513 0.939361
C 2.510205 -1.683999 1.959390
C 3.634384 -0.639723 2.101401
C 3.971171 0.068450 0.794753
C 5.151191 -0.252924 0.076379
C 3.092427 1.042848 0.251920
C 5.442848 0.377424 -1.155946
C 3.371952 1.667570 -0.984474
C 4.552161 1.336322 -1.691127
H -3.457997 0.462317 1.613363
H -4.292249 0.845143 -1.039438
H -1.322798 1.579088 1.542239
H -2.202739 3.667482 -0.506316
H 0.149261 1.668191 -0.383238
H 0.235341 3.420063 0.063403
H -4.329667 2.952232 1.470790
H -2.169419 3.214037 2.856732
H -4.344882 -1.390321 -2.070385
H -0.446818 2.503248 -2.573090
H -1.110962 -5.004969 -1.343858
H 0.402678 -5.146302 -0.434660
H 2.391784 -2.277908 2.884927
H 2.676524 -2.367936 1.110950
H 3.330256 0.088391 2.877229
H 4.526631 -1.170167 2.487114
H 5.847069 -0.997790 0.483778
H 2.179749 1.295374 0.801712
H 6.361902 0.120825 -1.695632
H 2.669451 2.400979 -1.397909
H 4.774535 1.821359 -2.648370


