%chk=000188202.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188202

0 1
O -4.139395 0.599023 -1.732074
O -4.465735 1.653495 0.218701
O -1.125369 -1.414920 1.465275
O 1.232544 2.321081 2.157316
O -0.731666 2.421203 1.269785
N -2.306346 -0.975937 -0.436896
N 0.419348 2.015923 1.301968
N 4.002302 -0.844858 -0.594561
N -1.100649 -4.197505 1.114384
N 4.842085 -0.687550 0.327385
N 5.735037 -0.685360 1.025806
C -1.321258 1.248219 -1.081922
C -2.321493 0.477366 -0.192121
C 0.083403 0.761613 -0.880075
C 0.881782 1.104296 0.221535
C 0.637541 -0.099304 -1.856696
C -3.735569 0.996382 -0.471307
C 2.188102 0.596604 0.366602
C 1.919991 -0.607312 -1.738229
C -1.670883 -1.841566 0.463583
C 2.704039 -0.258559 -0.608625
C -1.730289 -3.325847 0.100295
H -1.620884 1.168683 -2.149565
H -1.393303 2.337421 -0.836250
H -2.081661 0.678392 0.903184
H -2.697402 -1.290805 -1.322126
H 0.033348 -0.369960 -2.726034
H 2.769942 0.885752 1.249606
H 2.338255 -1.273019 -2.499052
H -1.225841 -3.503423 -0.878864
H -2.789867 -3.649204 -0.037240
H -5.060208 0.903439 -1.954943
H -0.133177 -3.918226 1.271169
H -1.576322 -4.100340 2.010486


%chk=000188202-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188202

0 1
O -4.645963 0.087712 -1.105231
O -4.058558 2.266819 -0.553208
O -0.841910 -1.348200 1.245962
O 1.390551 2.388390 2.201079
O -0.741597 2.319927 1.425471
N -2.330254 -0.968841 -0.503479
N 0.503970 1.985806 1.354139
N 4.072789 -0.870588 -0.560927
N -1.215286 -4.195952 1.070253
N 4.856621 -0.659634 0.413350
N 5.728000 -0.595103 1.213640
C -1.298964 1.289570 -1.105468
C -2.378322 0.480632 -0.293009
C 0.116941 0.795580 -0.871314
C 0.949624 1.097556 0.245546
C 0.692055 -0.054260 -1.854839
C -3.746920 1.063132 -0.632723
C 2.255059 0.582849 0.387394
C 1.983900 -0.592023 -1.738797
C -1.583393 -1.797055 0.319578
C 2.773106 -0.276850 -0.604863
C -1.689938 -3.313497 0.003763
H -1.529171 1.191082 -2.182656
H -1.425373 2.346663 -0.820502
H -2.179041 0.683509 0.776865
H -3.009538 -1.373679 -1.151823
H 0.094599 -0.297268 -2.739838
H 2.831099 0.863117 1.274614
H 2.397193 -1.250031 -2.508663
H -1.094782 -3.504446 -0.911778
H -2.737648 -3.570629 -0.245523
H -5.517957 0.518448 -1.315797
H -0.244844 -3.992463 1.336883
H -1.815649 -4.175076 1.902400


