%chk=000247757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247757

0 1
O 4.235331 -1.659774 -0.686194
O 4.423382 1.512914 0.699108
O -2.488129 -1.698081 1.346380
O -4.500823 1.185487 -1.001685
O -4.705714 -0.551494 0.393012
N 1.711145 0.075900 -0.000179
C 2.458797 -0.907675 0.821074
C 2.570390 0.974109 -0.809821
C 0.331056 0.098508 -0.060957
C 3.017338 -2.054522 -0.037701
C 3.247671 2.040047 0.068409
C -0.437103 -0.832536 0.675208
C -0.345758 1.079305 -0.864855
C -1.830661 -0.774972 0.612065
C -2.510416 0.195281 -0.179518
C -1.719722 1.113997 -0.911753
C -3.949236 0.208122 -0.208311
H 1.803861 -1.311114 1.628820
H 3.297848 -0.368384 1.334683
H 1.973845 1.460226 -1.616570
H 3.348868 0.349696 -1.323350
H 2.356885 -2.310404 -0.890411
H 3.201684 -2.959663 0.567190
H 2.621715 2.342278 0.932155
H 3.519184 2.934141 -0.519785
H 0.022671 -1.596472 1.296557
H 0.234756 1.796851 -1.438961
H -2.236901 1.861785 -1.523307
H 4.942727 -1.518463 -0.024548
H 5.103736 1.298808 0.028528
H -3.515548 -1.620137 1.269481
H -5.497378 1.150338 -0.986363


%chk=000247757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247757

0 1
O 3.938715 -2.091890 -0.894010
O 4.068581 2.004671 0.960600
O -2.459804 -1.879326 1.121811
O -4.469552 1.307238 -0.856173
O -4.624427 -0.663633 0.355346
N 1.836213 0.047329 -0.023244
C 2.538702 -0.929573 0.830034
C 2.671131 0.951037 -0.837088
C 0.442296 0.095739 -0.071002
C 2.874993 -2.257739 0.117117
C 3.086499 2.250356 -0.112939
C -0.352777 -0.915590 0.546631
C -0.239663 1.176600 -0.744907
C -1.757404 -0.861420 0.507439
C -2.432742 0.218603 -0.169070
C -1.631936 1.221947 -0.785728
C -3.881159 0.231800 -0.189074
H 1.922074 -1.137417 1.723168
H 3.465054 -0.451792 1.199794
H 2.131329 1.206500 -1.766803
H 3.568789 0.386330 -1.151014
H 2.003155 -2.624309 -0.447497
H 3.161353 -3.023821 0.869226
H 2.220518 2.701527 0.397204
H 3.485127 2.977752 -0.853056
H 0.086693 -1.781173 1.045772
H 0.325013 1.988943 -1.208127
H -2.139152 2.050135 -1.289829
H 4.810887 -2.023620 -0.429063
H 4.951812 1.825988 0.548738
H -3.457660 -1.692941 0.995902
H -5.457155 1.205851 -0.801755


