%chk=000265953.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265953

0 1
O -1.777413 -0.996922 1.126891
O -2.438336 -1.867143 -1.905289
O -2.286145 1.551165 -1.286667
O -4.128050 1.639982 1.828368
N 1.301968 -2.062403 0.730069
N 2.540727 -1.560256 0.837992
N 0.757515 1.211905 -0.691107
N 3.076695 1.943412 -0.406512
N 4.761426 0.582866 0.520429
C -1.675428 -0.831292 -1.277532
C -1.063188 -1.503397 -0.025009
C -2.604867 0.289234 -0.734011
C -2.404592 0.275473 0.802302
C 0.382358 -1.181145 0.145988
C -3.701929 0.291879 1.619264
C 1.110475 -0.004729 -0.128603
C 2.470553 -0.289610 0.316945
C 3.454469 0.757666 0.147854
C 1.753425 2.105260 -0.794319
H -0.923823 -0.436085 -1.994055
H -1.273701 -2.599726 -0.007642
H -3.661207 0.130155 -1.044310
H -1.711382 1.084032 1.128392
H -3.527291 -0.088289 2.647087
H -4.513149 -0.290934 1.150430
H -2.756765 -1.568087 -2.783971
H -1.325088 1.779134 -1.130562
H 1.095746 -2.994899 1.072827
H -4.267320 2.093946 0.968124
H 1.522996 3.091812 -1.233671
H 5.061303 -0.268466 0.967376
H 5.428118 1.333859 0.417223


%chk=000265953-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265953

0 1
O -1.927027 -1.324509 1.051597
O -2.666870 -1.970803 -1.901528
O -2.040688 1.553362 -1.170049
O -3.826769 1.879578 1.529177
N 1.305492 -2.060508 0.634023
N 2.560707 -1.503484 0.800950
N 0.608775 1.224133 -0.647012
N 2.891798 2.051310 -0.291011
N 4.607596 0.724734 0.626895
C -1.755202 -0.973682 -1.330104
C -1.079694 -1.672101 -0.127697
C -2.497404 0.258601 -0.702706
C -2.313801 0.089905 0.841154
C 0.343963 -1.230754 0.080859
C -3.575713 0.434368 1.634008
C 1.024784 -0.000695 -0.131933
C 2.372339 -0.227551 0.320064
C 3.311911 0.859480 0.220817
C 1.579536 2.166333 -0.688826
H -1.030022 -0.628619 -2.092864
H -1.147882 -2.768305 -0.235465
H -3.569321 0.195158 -0.967376
H -1.492145 0.758944 1.174995
H -3.445981 0.222644 2.708298
H -4.437584 -0.152053 1.253199
H -3.192803 -1.547422 -2.626208
H -1.020288 1.575555 -1.019012
H 1.162663 -3.025191 0.934788
H -3.538416 2.197396 0.630923
H 1.295442 3.146406 -1.083054
H 4.936218 -0.157512 1.014916
H 5.234486 1.523676 0.542480


