%chk=000188640.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188640

0 1
O 2.761720 -1.517370 -0.114795
O -0.717628 -0.976157 -0.446530
O 4.900692 2.822866 -0.793337
N -0.903510 2.337550 0.670309
C 2.560127 -0.054714 -0.044246
C 1.387994 -1.928138 0.220371
C 0.617650 -1.188532 -0.940769
C 1.417519 0.129249 -1.090860
C 1.967890 0.113734 1.381700
C 1.132796 -1.177216 1.553927
C 3.886926 0.628888 -0.367496
C 1.302875 -3.426947 0.226735
C 3.733203 2.159938 -0.288782
C 5.006171 0.144199 0.555510
C -1.659814 -0.522454 -1.449247
C -2.917971 -0.229078 -0.673434
C -2.971275 0.834725 0.251182
C -4.059176 -1.019549 -0.867660
C -4.153410 1.098041 0.964768
C -5.234216 -0.752001 -0.160549
C -5.282547 0.305231 0.754598
C -1.824822 1.663723 0.482805
H 0.583758 -1.780657 -1.870256
H 1.814526 0.252271 -2.106731
H 0.795057 1.010210 -0.868280
H 1.353784 1.023262 1.474577
H 2.765525 0.181224 2.137557
H 1.466884 -1.767852 2.418207
H 0.058991 -0.962003 1.692311
H 4.166726 0.348042 -1.416262
H 1.662231 -3.855647 -0.718548
H 1.930134 -3.856814 1.020538
H 0.271261 -3.764671 0.388207
H 2.852710 2.520460 -0.849850
H 3.678984 2.525815 0.754291
H 5.123623 -0.945752 0.479287
H 4.803854 0.376180 1.607256
H 5.959141 0.620031 0.293785
H -1.793401 -1.325884 -2.196786
H -1.265013 0.381497 -1.951176
H 5.102138 2.524107 -1.700269
H -4.029195 -1.853919 -1.568819
H -4.184166 1.920295 1.681347
H -6.116105 -1.373274 -0.320158
H -6.200243 0.508794 1.306071


%chk=000188640-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188640

0 1
O 2.839262 -1.575991 -0.117830
O -0.758559 -1.050683 -0.317912
O 4.899519 2.919359 -0.822558
N -0.969811 2.306148 0.844834
C 2.624008 -0.082220 -0.023105
C 1.453282 -1.973657 0.287975
C 0.619562 -1.224152 -0.803126
C 1.424413 0.105069 -1.006506
C 2.088660 0.084013 1.433799
C 1.280050 -1.240831 1.649691
C 3.925466 0.642532 -0.406996
C 1.316372 -3.486192 0.296836
C 3.739107 2.177013 -0.301148
C 5.149976 0.167211 0.404965
C -1.671032 -0.534194 -1.350996
C -2.991510 -0.216237 -0.682286
C -3.088556 0.845236 0.270791
C -4.152604 -0.964488 -0.974420
C -4.326130 1.132743 0.906693
C -5.386195 -0.677133 -0.345824
C -5.472358 0.372005 0.597389
C -1.931548 1.642336 0.590207
H 0.603599 -1.827507 -1.735765
H 1.790743 0.203106 -2.044126
H 0.812227 0.988405 -0.753811
H 1.453113 0.980675 1.535057
H 2.920662 0.163189 2.153258
H 1.722685 -1.855448 2.452171
H 0.218551 -1.060389 1.881703
H 4.112337 0.401431 -1.478438
H 1.573544 -3.910989 -0.690115
H 1.986790 -3.933290 1.051304
H 0.276846 -3.769214 0.540395
H 2.812088 2.499134 -0.820879
H 3.673286 2.489320 0.754697
H 5.312381 -0.914280 0.264655
H 5.015016 0.356678 1.486067
H 6.050195 0.719123 0.082744
H -1.813571 -1.292706 -2.149814
H -1.236657 0.379440 -1.811693
H 5.022234 2.680629 -1.776609
H -4.087585 -1.786909 -1.695676
H -4.378981 1.948939 1.633912
H -6.273656 -1.271575 -0.587410
H -6.424825 0.596053 1.088397


