%chk=000179112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179112

1 1
O -0.275468 -1.333395 1.389585
O -1.300584 -1.896757 -0.552174
O 2.844696 -1.003870 -1.701829
O 1.879895 -1.465092 0.260889
N -2.981327 0.469783 -0.204475
N 3.659608 0.712285 1.312953
C -1.574432 0.348662 0.411407
C -0.529240 1.250428 -0.278179
C 0.700850 1.453679 0.623535
C -3.900421 -0.543165 0.448528
C -3.519822 1.859484 0.066476
C -2.960846 0.221049 -1.695798
C 1.974139 1.751552 -0.177956
C -1.056247 -1.099326 0.320874
C 3.087653 0.690173 -0.040478
C 2.525390 -0.692554 -0.419288
H -1.651556 0.636217 1.501658
H -0.962146 2.240879 -0.528204
H -0.217571 0.804114 -1.247981
H 0.860824 0.558589 1.270236
H 0.512799 2.281654 1.337227
H -3.622364 -1.584592 0.173183
H -4.951951 -0.408394 0.129501
H -3.882947 -0.472865 1.551628
H -3.635504 2.054216 1.149750
H -2.851087 2.644346 -0.339843
H -4.514232 2.008229 -0.397988
H -2.390203 0.991982 -2.242145
H -3.980877 0.202047 -2.122374
H -2.493647 -0.766736 -1.932755
H 1.756234 1.904947 -1.253079
H 2.406906 2.720906 0.168663
H 3.910062 0.943570 -0.775795
H 0.327544 -2.158415 1.281782
H 4.509242 0.158555 1.384302
H 3.005799 0.398214 2.023583
H 2.544731 -1.914799 -1.988418


%chk=000179112-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179112

1 1
O -0.233143 -1.355620 0.861290
O -1.067653 -1.251632 -1.315579
O 4.345985 -1.623176 -0.186345
O 2.132627 -1.947089 0.288393
N -3.138542 0.589349 -0.177103
N 3.599530 1.086452 0.868088
C -1.688162 0.433726 0.396831
C -0.767601 1.665710 0.130288
C 0.724581 1.426079 0.535521
C -3.899712 -0.720679 0.062514
C -3.857176 1.707544 0.576954
C -3.162435 0.900190 -1.679127
C 1.593872 0.909888 -0.647501
C -0.997226 -0.839566 -0.128858
C 3.007509 0.379587 -0.275348
C 3.062238 -1.152175 -0.044972
H -1.826186 0.310155 1.485471
H -1.154730 2.524990 0.706537
H -0.795533 1.936970 -0.941128
H 0.762509 0.739032 1.400415
H 1.146988 2.387673 0.873641
H -3.466151 -1.506682 -0.571011
H -4.957325 -0.566366 -0.200363
H -3.813234 -0.997166 1.124653
H -3.869079 1.470386 1.652024
H -3.339794 2.661794 0.406821
H -4.888754 1.778541 0.199359
H -2.776284 1.915096 -1.849225
H -4.208074 0.844040 -2.019410
H -2.540963 0.153778 -2.194426
H 1.066724 0.133848 -1.233033
H 1.743964 1.761890 -1.336404
H 3.670645 0.552423 -1.141277
H 0.682658 -1.779615 0.564860
H 4.620027 1.066103 0.923722
H 3.135014 0.966870 1.771041
H 4.406786 -2.596747 0.019687


