%chk=000202643.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202643

0 1
O -7.698166 0.261624 -0.194074
O -0.863187 -1.401216 -0.422611
O 4.352990 2.272696 0.934629
O 5.982571 -1.425990 -0.295335
O 6.405149 0.675500 0.431392
N -4.881782 -0.115024 0.095749
N -0.045800 0.640311 0.282761
C -5.448621 0.586766 -1.103056
C -5.852552 -1.147108 0.588937
C -3.550879 -0.726929 -0.212467
C -6.776471 1.248223 -0.699733
C -7.171871 -0.444091 0.948035
C -2.470490 0.323186 0.114008
C -1.090980 -0.271909 -0.048960
C 1.350898 0.385745 0.227189
C 2.204358 1.434527 0.603547
C 1.879248 -0.862537 -0.188197
C 3.592599 1.223995 0.560552
C 4.140258 -0.019609 0.146840
C 3.247949 -1.050370 -0.223734
C 5.583298 -0.182610 0.121174
C 7.419685 -1.655003 -0.343865
H -4.725958 1.361341 -1.433877
H -5.617471 -0.096401 -1.964010
H -6.045393 -1.950532 -0.154495
H -5.425236 -1.627208 1.495249
H -3.380080 -1.630250 0.416048
H -3.444078 -1.068383 -1.265130
H -7.320334 1.657953 -1.568756
H -6.629412 2.029548 0.066568
H -7.042472 0.267742 1.782351
H -7.978913 -1.162327 1.175659
H -2.631519 0.693414 1.151640
H -2.597646 1.214034 -0.535170
H -0.309721 1.578709 0.601532
H 1.838424 2.404949 0.928279
H 1.202336 -1.673403 -0.478547
H 3.666556 -2.011232 -0.543092
H 5.369325 2.072349 0.887725
H 7.845289 -1.528972 0.656829
H 7.878106 -0.956303 -1.050968
H 7.477890 -2.692103 -0.690511


%chk=000202643-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202643

0 1
O -7.772389 0.388751 -0.230414
O -0.953176 -1.594005 0.484979
O 4.359150 2.364438 -0.411651
O 6.087228 -1.474787 0.175320
O 6.409455 0.792312 -0.230935
N -4.947421 -0.206705 0.145228
N -0.059251 0.544942 0.098796
C -5.393554 1.059807 -0.493457
C -5.941535 -1.283488 -0.113451
C -3.580159 -0.616434 -0.249477
C -6.787389 1.450756 0.026522
C -7.323291 -0.860561 0.408737
C -2.498882 0.310307 0.345115
C -1.114705 -0.351923 0.309488
C 1.338321 0.296163 0.076950
C 2.182825 1.408402 -0.151019
C 1.893875 -1.006213 0.275178
C 3.583247 1.246919 -0.185087
C 4.156233 -0.058321 0.014764
C 3.284800 -1.158838 0.241534
C 5.613491 -0.191085 -0.026140
C 7.561531 -1.635701 0.139267
H -4.682401 1.869960 -0.246231
H -5.430966 0.961247 -1.608771
H -6.021414 -1.515892 -1.205385
H -5.615696 -2.202637 0.408851
H -3.393171 -1.630656 0.146132
H -3.460464 -0.670119 -1.361733
H -7.170912 2.342014 -0.497308
H -6.730541 1.653221 1.118079
H -7.277883 -0.721716 1.510407
H -8.090685 -1.611839 0.159672
H -2.765955 0.490112 1.405860
H -2.478688 1.294685 -0.160695
H -0.330032 1.520632 -0.047585
H 1.779823 2.415378 -0.305203
H 1.229161 -1.852601 0.447030
H 3.728854 -2.147088 0.391696
H 5.338951 2.071016 -0.404365
H 8.030641 -1.022363 0.926250
H 7.954021 -1.327849 -0.843978
H 7.726853 -2.707140 0.317136


