%chk=000177916.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177916

0 1
 O  -0.2887000     -0.4381000       1.675600    
 O    2.755700     -0.4567000     -4.3099999E-02
 O   0.6225000      -1.432400      -2.715500    
 O    4.442800      -1.893300      0.5956000    
 O    3.555500       1.548500       1.933100    
 O    6.326800     -0.5104000      -1.452300    
 N   -1.228100     -0.4890000      -1.665500    
 N   0.5237000      -1.040400     -0.4145000    
 C   -1.669600     -9.4099998E-02 -0.3302000    
 C  -0.4125000     -0.5302000      0.4589000    
 C   -2.870700     -0.9015000      0.1774000    
 C   -1.919000       1.417400     -0.3417000    
 C   5.2400000E-02  -1.036000      -1.707400    
 C    1.822600      -1.538500     -7.4999998E-03
 C   -3.362800     -0.6906000       1.467600    
 C   -2.957400       1.950900      -1.108800    
 C   -3.477600      -1.850500     -0.6487000    
 C   -1.109400       2.267700      0.4151000    
 C   -4.455400      -1.424600       1.929200    
 C   -3.184800       3.327100      -1.119100    
 C   -4.570200      -2.584400     -0.1871000    
 C   -1.337000       3.643900      0.4047000    
 C    4.909600      0.4724000      0.2311000    
 C   -5.059000      -2.371500       1.102000    
 C   -2.374700       4.173500     -0.3624000    
 C    4.042100     -0.7794000      0.2837000    
 C    4.883000       1.159700       1.596600    
 C    6.339800      0.1004000     -0.1669000    
 H   -1.792500     -0.3651000      -2.501000    
 H    2.139200      -2.320300     -0.7061000    
 H    1.756100      -1.930900       1.012800    
 H   -2.911800      4.6200000E-02   2.126600    
 H   -3.597800       1.307400      -1.706300    
 H   -3.131100      -2.048300      -1.658200    
 H  -0.2824000       1.911500       1.018400    
 H   -4.837000      -1.257800       2.932200    
 H   -3.992300       3.739600      -1.716800    
 H   -5.041000      -3.321700     -0.8308000    
 H  -0.7047000       4.304000      0.9913000    
 H    4.486600       1.125600     -0.5434000    
 H   -5.910000      -2.942700       1.461200    
 H   -2.551200       5.245100     -0.3712000    
 H    5.512500       2.055500       1.600300    
 H    5.239600      0.4885000       2.385200    
 H    6.969200      0.9949000     -0.2187000    
 H    6.787000     -0.6029000      0.5439000    
 H    3.240200       2.146400       1.234000    
 H    7.248600     -0.7264000      -1.674100    


%chk=000177916-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177916

0 1
O 0.296540 -0.180922 1.143010
O 2.710875 -0.464116 -0.639444
O 0.166643 -1.878180 -3.248907
O 4.606991 -1.751459 -0.194596
O 2.846193 -0.530187 2.337580
O 6.160279 1.370532 -0.790641
N -1.451132 -0.746936 -1.916693
N 0.533778 -1.232759 -0.969571
C -1.548076 -0.142829 -0.564884
C -0.138334 -0.504505 0.011452
C -2.611134 -0.826742 0.320857
C -1.729971 1.387610 -0.690161
C -0.236230 -1.341500 -2.193679
C 1.906735 -1.687221 -0.879341
C -2.854367 -0.317997 1.622584
C -3.031635 1.947411 -0.711387
C -3.301176 -1.982685 -0.113414
C -0.610694 2.231696 -0.902712
C -3.786298 -0.952502 2.469637
C -3.211384 3.329607 -0.939697
C -4.240858 -2.612812 0.734962
C -0.791415 3.613599 -1.124630
C 4.415863 0.574664 0.663855
C -4.487339 -2.099733 2.027666
C -2.092176 4.167570 -1.146198
C 3.998592 -0.668251 -0.103567
C 3.987492 0.352655 2.163898
C 5.920502 0.831636 0.557801
H -2.138222 -0.576770 -2.649396
H 2.174827 -2.166723 -1.834763
H 2.060995 -2.373914 -0.029172
H -2.304733 0.562048 1.972015
H -3.903264 1.306743 -0.537887
H -3.099466 -2.396352 -1.106924
H 0.405115 1.819556 -0.892514
H -3.962590 -0.555277 3.475142
H -4.222578 3.750771 -0.953420
H -4.772593 -3.505275 0.387094
H 0.081154 4.256766 -1.282045
H 3.871907 1.437660 0.241663
H -5.211753 -2.590805 2.686700
H -2.231111 5.240317 -1.319544
H 3.820788 1.345569 2.632353
H 4.808328 -0.156251 2.699449
H 6.230825 1.566624 1.331094
H 6.465707 -0.121085 0.719524
H 2.003125 -0.182862 1.927797
H 7.122077 1.302115 -1.011748


