%chk=000088569.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088569

0 1
 O    1.013600     -0.9790000      0.4222000    
 N    3.069000      7.9400003E-02  0.7245000    
 N   0.9719000       1.281700      0.3747000    
 C    5.452800      0.2126000     -0.8714000    
 C    4.673000       1.470200     -0.4810000    
 C    4.552200      -1.024900     -0.8768000    
 C    3.913500       1.274400      0.8348000    
 C    3.801700      -1.159400      0.4479000    
 C    1.699800      0.1945000      0.5084000    
 C  -0.2730000     -0.5833000      0.2138000    
 C  -0.2938000      0.7889000      0.1858000    
 C   -1.237500      -1.636700      8.1900001E-02
 C   -1.450500       1.606500     -9.8999999E-03
 C   -2.562400      -1.433700      0.4828000    
 C  -0.8621000      -2.876100     -0.4476000    
 C   -2.206100       2.030200       1.087200    
 C   -1.832700       1.987200      -1.299400    
 C   -3.500900      -2.458000      0.3557000    
 C   -1.800500      -3.900300     -0.5747000    
 C   -3.334700       2.827500      0.8964000    
 C   -2.961200       2.784600      -1.490200    
 C   -3.120000      -3.691100     -0.1730000    
 C   -3.712100       3.204800     -0.3922000    
 H    5.905200      0.3475000      -1.860100    
 H    6.274000      6.0400002E-02 -0.1601000    
 H    5.360000       2.318700     -0.3896000    
 H    3.962200       1.714200      -1.280500    
 H    3.832400     -0.9439000      -1.700800    
 H    5.154600      -1.921800      -1.057900    
 H    4.623300       1.139100       1.659900    
 H    3.325300       2.169400       1.067900    
 H    3.146200      -2.036600      0.4154000    
 H    4.515400      -1.340200       1.261500    
 H   -2.900100     -0.5080000      0.9306000    
 H   0.1576000      -3.065100     -0.7753000    
 H   -1.925100       1.747200       2.099200    
 H   -1.258800       1.668600      -2.166600    
 H   -4.526500      -2.298300      0.6756000    
 H   -1.504600      -4.860200     -0.9876000    
 H   -3.919200       3.154800       1.751200    
 H   -3.255400       3.078300      -2.493600    
 H   -3.850200      -4.489100     -0.2706000    
 H   -4.590800       3.825500     -0.5409000    


%chk=000088569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088569

0 1
O 0.941843 -1.053594 -0.068673
N 2.989082 0.123020 0.241137
N 0.815630 1.214960 0.283661
C 5.853852 0.210765 -0.222152
C 4.989955 1.491691 -0.304206
C 5.016780 -1.031038 -0.609588
C 3.724693 1.364213 0.570830
C 3.751913 -1.143234 0.270466
C 1.624474 0.156916 0.175904
C -0.457178 -0.677755 -0.105746
C -0.499358 0.707498 0.080661
C -1.392073 -1.794077 -0.224788
C -1.625864 1.660035 0.040835
C -2.710027 -1.722061 0.314482
C -0.981692 -3.007714 -0.851223
C -1.507866 2.893465 0.739555
C -2.802984 1.417381 -0.719916
C -3.591121 -2.816232 0.203814
C -1.865922 -4.101093 -0.952211
C -2.551300 3.841940 0.706045
C -3.843329 2.369291 -0.754614
C -3.178634 -4.011858 -0.432283
C -3.727441 3.583456 -0.036647
H 6.736821 0.299164 -0.882022
H 6.235928 0.088788 0.812994
H 5.568417 2.374840 0.027448
H 4.686995 1.668108 -1.354432
H 4.712248 -0.956168 -1.671498
H 5.613981 -1.956045 -0.498265
H 4.013661 1.344371 1.645104
H 3.037088 2.211858 0.421680
H 3.096707 -1.958184 -0.074473
H 4.049280 -1.369209 1.319043
H -3.032553 -0.817101 0.838502
H 0.032701 -3.081025 -1.255893
H -0.585450 3.090701 1.294427
H -2.894017 0.495655 -1.303763
H -4.598622 -2.740864 0.628450
H -1.531546 -5.023718 -1.440143
H -2.446184 4.784556 1.255222
H -4.740145 2.168889 -1.351854
H -3.865873 -4.861137 -0.513452
H -4.537366 4.321046 -0.064815


