%chk=000216077.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216077

0 1
O 3.576473 0.184098 -0.142059
O 3.354650 2.803574 -0.261938
N -2.587653 0.212760 -0.074700
C -1.279028 -0.477089 -0.355075
C -0.090354 0.467375 -0.287797
C -1.069368 -1.596052 0.692530
C -0.246520 1.853788 -0.303090
C -2.683992 1.507829 -0.822137
C -1.616329 2.466837 -0.279761
C 1.201083 -0.129355 -0.218438
C 0.204767 -2.327174 0.383726
C 1.316454 -1.595429 -0.103683
C -3.739061 -0.690640 -0.432179
C 0.879372 2.704542 -0.292399
C 2.312036 0.722794 -0.204525
C 2.141179 2.136636 -0.252442
C 0.296275 -3.710472 0.559832
C 2.485872 -2.287693 -0.446850
C 1.478631 -4.383585 0.232397
C 2.566214 -3.674243 -0.279435
C -4.982216 -0.144097 0.067059
C 3.323554 4.235878 -0.053351
C -6.023943 0.296490 0.482046
H -1.273792 -0.936518 -1.384357
H -1.941936 -2.277864 0.716523
H -1.018288 -1.149972 1.711024
H -3.694878 1.939167 -0.645945
H -2.568413 1.385610 -1.920723
H -1.860864 2.730325 0.775462
H -1.644996 3.414745 -0.850937
H -3.821901 -0.884796 -1.530605
H -3.558203 -1.687172 0.055011
H 0.743663 3.780984 -0.314287
H -0.551279 -4.268797 0.950971
H 3.347075 -1.743739 -0.846157
H 1.545481 -5.460617 0.373580
H 3.482589 -4.196646 -0.546320
H 4.261054 0.904614 -0.039479
H 2.825174 4.724857 -0.895664
H 4.392825 4.482673 -0.030255
H 2.841835 4.472473 0.899893
H -6.916643 0.670204 0.840632


%chk=000216077-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216077

0 1
O 3.658644 0.238657 -0.125114
O 3.401695 2.831855 -0.167591
N -2.589699 0.214096 -0.023266
C -1.294988 -0.488289 -0.257410
C -0.088223 0.460213 -0.215274
C -1.041444 -1.610982 0.777701
C -0.247535 1.862473 -0.224967
C -2.673561 1.490113 -0.780289
C -1.636685 2.477633 -0.235347
C 1.219736 -0.142202 -0.175265
C 0.219456 -2.364948 0.395437
C 1.340172 -1.624400 -0.096463
C -3.742726 -0.673795 -0.346505
C 0.892554 2.707793 -0.211315
C 2.342045 0.723373 -0.172875
C 2.169481 2.136244 -0.187560
C 0.295169 -3.769985 0.509202
C 2.512409 -2.337548 -0.472937
C 1.467876 -4.466688 0.139864
C 2.574219 -3.742358 -0.358166
C -5.049978 -0.092015 0.011089
C 3.356393 4.292837 -0.137865
C -6.165918 0.353981 0.284707
H -1.303442 -0.969961 -1.275881
H -1.889040 -2.316060 0.832071
H -0.942890 -1.137702 1.775279
H -3.691688 1.896653 -0.652552
H -2.507753 1.326032 -1.876440
H -1.930654 2.760356 0.794580
H -1.643306 3.402515 -0.844083
H -3.761140 -0.938714 -1.436957
H -3.627433 -1.623550 0.205043
H 0.756108 3.794132 -0.220442
H -0.573129 -4.322347 0.889237
H 3.376541 -1.784402 -0.843487
H 1.514274 -5.557619 0.232743
H 3.487648 -4.269492 -0.655872
H 4.262626 1.029210 -0.069971
H 2.865810 4.690865 -1.046601
H 4.405907 4.620426 -0.107484
H 2.823654 4.653514 0.762771
H -7.134584 0.746391 0.534356


