%chk=000185374.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185374

0 1
O -1.117973 1.926625 0.834504
O 4.223520 0.015019 1.248057
O -2.790680 0.216012 -2.058102
N -1.021161 -1.447986 -0.521427
C 0.686089 -0.427186 0.625089
C 1.148947 -1.705866 0.162758
C -0.637606 -0.278851 0.187322
C 1.475250 0.534862 1.438988
C 0.068335 -2.311735 -0.566662
C 2.388338 1.355881 0.572545
C 2.374246 -2.397723 0.281810
C -1.533881 0.857393 0.428572
C 0.200082 -3.588965 -1.166565
C 2.494505 -3.641149 -0.303076
C -3.011924 0.660455 0.251635
C 1.412109 -4.229685 -1.020850
C 3.769769 1.078344 0.489423
C 1.895843 2.429274 -0.176671
C 4.640004 1.834150 -0.305139
C -3.630124 0.405156 -0.983187
C 2.749512 3.195831 -0.979794
C -3.838876 0.823210 1.373500
C 4.112577 2.898678 -1.043494
C -5.023829 0.312783 -1.121243
C -5.227397 0.717016 1.262105
C -5.816453 0.469330 0.016567
H 2.067247 -0.013082 2.208730
H 0.792512 1.216111 2.003423
H -1.876258 -1.532045 -1.042470
H 3.198072 -1.927287 0.824937
H -0.624192 -4.031966 -1.713015
H 3.426048 -4.196574 -0.227742
H 1.563443 -5.214444 -1.463373
H 0.826090 2.665203 -0.124339
H 5.697765 1.601215 -0.352095
H 2.344480 4.025700 -1.554242
H -3.383104 1.042603 2.342927
H 4.773176 3.496838 -1.669485
H -5.476521 0.126704 -2.089850
H -5.852350 0.838310 2.145062
H -6.901933 0.399158 -0.067660
H 5.202797 -0.087554 1.177381
H -3.280894 0.189036 -2.917754


%chk=000185374-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185374

0 1
O -1.167279 1.873699 0.775345
O 4.299039 0.027068 1.433769
O -3.179464 -0.549903 -1.983205
N -0.979956 -1.475372 -0.743608
C 0.688575 -0.456847 0.476343
C 1.161409 -1.736571 0.009254
C -0.641138 -0.315298 -0.012189
C 1.462519 0.487898 1.373284
C 0.103675 -2.339152 -0.765742
C 2.456095 1.370313 0.611811
C 2.393891 -2.431204 0.173979
C -1.585954 0.767385 0.280475
C 0.259374 -3.599049 -1.393280
C 2.544209 -3.685055 -0.439843
C -3.099369 0.608638 0.172584
C 1.488243 -4.260784 -1.217166
C 3.853444 1.125994 0.656625
C 2.006490 2.473631 -0.155054
C 4.770816 1.945763 -0.042968
C -3.859042 0.025506 -0.877096
C 2.908786 3.301826 -0.859602
C -3.833970 1.207848 1.235662
C 4.296011 3.035548 -0.804131
C -5.273570 0.026937 -0.860381
C -5.240981 1.203460 1.276036
C -5.967709 0.610064 0.218015
H 2.014607 -0.104416 2.123567
H 0.747960 1.145618 1.895947
H -1.813533 -1.509205 -1.344341
H 3.202513 -1.976617 0.755972
H -0.545573 -4.049612 -1.984056
H 3.484016 -4.237605 -0.329990
H 1.642137 -5.241280 -1.682685
H 0.930171 2.676083 -0.175897
H 5.847998 1.734602 0.005888
H 2.533409 4.150307 -1.441606
H -3.255872 1.695963 2.026061
H 5.006839 3.669946 -1.345169
H -5.829168 -0.427677 -1.691450
H -5.766256 1.664364 2.118264
H -7.062710 0.603597 0.227114
H 5.287420 -0.007881 1.438888
H -3.802501 -0.729733 -2.728324


