%chk=000178758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178758

0 1
 O    4.438800      -1.013700     -0.7038000    
 O    4.348200       2.217400      0.8687000    
 O    6.509300       1.208600     -0.4343000    
 O    5.510400      -3.368600      0.3772000    
 O   -3.689300      -3.164900     -0.5180000    
 N   -5.699800      0.4802000      0.7253000    
 N    2.347000     -1.5900001E-02 -0.1948000    
 N   -2.256100      0.1961000      3.9900001E-02
 N   0.4814000      -1.073500      0.4140000    
 N    1.395100       2.046100      -1.056300    
 N   -1.039100       2.040100     -0.8799000    
 C    3.772100      0.2280000     -0.4058000    
 C    4.486600      0.8126000      0.8031000    
 C    5.914200      0.3676000      0.5541000    
 C    5.722100      -1.025700     -3.6699999E-02
 C   -3.546100      0.8124000     -0.1454000    
 C   -3.825700       1.823500       1.005500    
 C   -4.722100     -8.3200000E-02 -3.9999999E-02
 C   -5.346900       1.788000       1.240700    
 C   -5.172500      -1.306400     -0.4614000    
 C    5.703500      -2.121000       1.020300    
 C    1.317200      0.8273000     -0.5013000    
 C   -6.774500     -0.3253000      0.8385000    
 C   0.1694000      0.1533000     -0.1158000    
 C   -1.060000      0.7962000     -0.3175000    
 C   -6.478700      -1.460900      9.9699996E-02
 C    1.794700      -1.144000      0.3518000    
 C   -4.461000      -2.269900      -1.320300    
 C   0.1616000       2.575900      -1.207200    
 H    3.857100      0.8742000      -1.288200    
 H    4.115900      0.3762000       1.738500    
 H    6.543300      0.4044000       1.447900    
 H    6.470500      -1.260100     -0.8023000    
 H   -3.601300       1.323200      -1.115900    
 H   -3.470100       2.831900      0.7694000    
 H   -3.315600       1.509800       1.926900    
 H   -5.618000       1.853300       2.296900    
 H   -5.877700       2.535000      0.6437000    
 H    4.880100      -1.981900       1.727900    
 H    6.650000      -2.150800       1.568600    
 H   -2.206700     -0.7020000      0.5079000    
 H   -7.649300     -5.2400000E-02   1.412100    
 H   -7.136400      -2.311000     -2.1400001E-02
 H    2.389700      -1.981000      0.6911000    
 H    3.401100       2.415800      0.9621000    
 H    7.404300      0.8679000     -0.6038000    
 H   -5.167300      -2.869200      -1.903400    
 H   -3.789400      -1.769400      -2.025800    
 H    5.504400      -4.050600       1.070300    
 H   0.1263000       3.565400      -1.650500    
 H   -2.991300      -2.644500     -8.5100003E-02


%chk=000178758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178758

0 1
O 4.524127 -1.560272 -0.120867
O 4.220479 2.037045 -0.961963
O 6.418672 0.384409 -1.494492
O 6.044135 -2.494418 2.338337
O -4.524953 -2.835911 -2.239919
N -5.693293 0.309991 0.974234
N 2.365243 -0.586769 -0.341116
N -2.208799 0.083963 0.351165
N 0.381654 -1.582478 0.249681
N 1.538659 1.743059 -0.704772
N -0.869539 1.940451 -0.293893
C 3.787382 -0.447800 -0.728587
C 4.441113 0.860163 -0.182732
C 5.918093 0.418759 -0.120819
C 5.799014 -1.017292 0.459552
C -3.450761 0.871587 0.402758
C -3.791830 1.397843 1.853336
C -4.675280 0.056786 0.054630
C -5.342210 1.325385 1.985959
C -5.173311 -0.820636 -0.925413
C 5.772103 -1.095174 1.989451
C 1.394870 0.416178 -0.386843
C -6.844107 -0.383070 0.615911
C 0.179997 -0.217456 -0.019128
C -0.988190 0.601914 0.018450
C -6.544099 -1.101732 -0.552943
C 1.701049 -1.766131 0.039344
C -4.443322 -1.360462 -2.126835
C 0.357454 2.427022 -0.635540
H 3.880378 -0.484074 -1.830622
H 4.089763 0.982417 0.870477
H 6.523844 1.091685 0.516748
H 6.611045 -1.670632 0.093241
H -3.298155 1.727771 -0.278704
H -3.400402 2.414283 2.017648
H -3.317001 0.723044 2.587184
H -5.671561 1.019040 2.994094
H -5.820870 2.292670 1.740660
H 4.783954 -0.762742 2.369256
H 6.562329 -0.429788 2.404379
H -2.244813 -0.909350 0.595671
H -7.761229 -0.327324 1.198214
H -7.220266 -1.767714 -1.087059
H 2.241188 -2.701137 0.155339
H 3.206379 2.188075 -0.965685
H 7.393464 0.214614 -1.487282
H -4.901478 -1.014885 -3.069768
H -3.384273 -1.027589 -2.115493
H 5.855927 -2.644563 3.298005
H 0.400652 3.491947 -0.880024
H -4.303826 -3.226199 -1.356024


