%chk=000277731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277731

0 1
O -2.780877 1.218058 -1.078053
O -0.967650 2.343880 -0.575753
O 0.979033 -0.474852 2.557136
O 6.184448 -0.969700 -1.343620
N 1.348973 0.898182 0.735087
C -1.745629 0.810964 1.130949
C -0.675787 1.207705 2.095541
C -3.696577 -0.457732 0.430116
C -2.669013 -0.144444 1.397333
C -3.717768 0.253674 -0.785628
C -1.742747 1.520801 -0.154995
C 0.622502 0.439165 1.837001
C -4.693373 -1.440690 0.636302
C 2.592487 0.353660 0.266914
C -4.688863 0.027239 -1.782049
C -5.652840 -1.676032 -0.335712
C -5.650484 -0.941661 -1.542964
C 3.118066 0.887059 -0.934467
C 3.282140 -0.655392 0.954879
C 5.004640 -0.600602 -0.728939
C 4.321972 0.414365 -1.434226
C 4.496026 -1.138128 0.456925
C 6.975361 -2.003478 -0.711465
H -0.987347 0.997740 3.144966
H -0.499573 2.306527 2.065690
H -2.662298 -0.697408 2.342226
H -4.695579 -2.009409 1.567262
H 0.952833 1.658742 0.161343
H -4.659787 0.607607 -2.703846
H -6.419748 -2.433484 -0.176865
H -6.417134 -1.145106 -2.293346
H 2.581293 1.668609 -1.472826
H 2.873972 -1.072635 1.883350
H 4.750057 0.806252 -2.354998
H 5.019927 -1.919619 0.998666
H 7.827459 -2.085211 -1.398781
H 7.302414 -1.679681 0.280705
H 6.413872 -2.941169 -0.670756


%chk=000277731-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277731

0 1
O -2.724614 1.111259 -1.147802
O -0.769420 2.177202 -0.609558
O 1.003085 -0.540014 2.686011
O 6.306418 -0.898763 -1.397629
N 1.367691 0.806622 0.785384
C -1.762390 0.781094 1.112868
C -0.681709 1.153786 2.106567
C -3.811344 -0.425796 0.433725
C -2.785916 -0.102544 1.401084
C -3.759280 0.213749 -0.839373
C -1.681055 1.404364 -0.217670
C 0.651476 0.383470 1.889509
C -4.880892 -1.333116 0.684120
C 2.616338 0.316324 0.301774
C -4.726143 -0.021108 -1.836472
C -5.850523 -1.580129 -0.301385
C -5.772764 -0.922704 -1.560432
C 3.115094 0.879265 -0.906835
C 3.371538 -0.684040 0.963082
C 5.094582 -0.546609 -0.777645
C 4.340548 0.453718 -1.441726
C 4.605131 -1.112359 0.424089
C 7.118187 -1.927400 -0.745599
H -1.008342 0.906115 3.128403
H -0.487579 2.240993 2.048691
H -2.826597 -0.573028 2.390510
H -4.935026 -1.835450 1.656647
H 0.907643 1.533453 0.214058
H -4.642748 0.494565 -2.797079
H -6.668809 -2.279271 -0.102947
H -6.531380 -1.118576 -2.325227
H 2.535558 1.650632 -1.428582
H 2.987408 -1.119123 1.887593
H 4.731951 0.879674 -2.370188
H 5.168697 -1.885965 0.954153
H 8.005099 -2.043261 -1.385885
H 7.429579 -1.612508 0.269744
H 6.574907 -2.890728 -0.682878


