%chk=000217796.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217796

0 1
O 1.356953 -1.659955 -2.533054
O -1.038306 -0.425969 1.521380
N 1.646557 -2.188991 -0.282651
N -2.884868 -1.481883 0.695805
N 2.882344 -1.571119 -0.022958
N -3.248636 2.505137 -0.162079
C -0.669205 -2.519264 0.349106
C 0.777472 -2.451357 0.907245
C -0.548963 -2.411249 -1.182628
C 0.886495 -1.997968 -1.473135
C -1.515492 -1.367011 0.903993
C -3.806892 -0.381102 1.077750
C -4.410120 0.321746 -0.143780
C -3.405089 1.208746 -0.903418
C 2.936883 -0.121023 -0.013883
C 4.150856 0.482236 -0.401280
C 1.884147 0.664469 0.483507
C -3.139388 3.654199 -1.110343
C -2.060504 2.470294 0.740441
C 4.304955 1.862569 -0.270507
C 2.056987 2.045075 0.602384
C 3.261310 2.649142 0.228830
H -1.128876 -3.492351 0.639197
H 1.088228 -3.417047 1.357326
H 0.890378 -1.664891 1.692008
H -0.769997 -3.374236 -1.682176
H -1.242039 -1.672270 -1.628083
H -3.274526 -2.214679 0.114378
H -3.244399 0.365827 1.704374
H -4.609189 -0.806232 1.719759
H 3.582802 -1.979743 -0.674179
H -4.852239 -0.412958 -0.841045
H -5.254345 0.958997 0.202791
H -2.443678 0.671916 -1.043805
H -3.803582 1.396589 -1.923706
H 4.967302 -0.117811 -0.795967
H 0.935910 0.215698 0.795067
H -3.066110 4.588166 -0.529540
H -2.280807 3.611182 -1.796068
H -4.063390 3.718959 -1.705899
H -2.080506 3.358811 1.389139
H -2.121746 1.577917 1.399887
H -1.087939 2.431117 0.228336
H 5.244269 2.329536 -0.564734
H 1.242589 2.653340 0.996144
H 3.386793 3.724439 0.325571


%chk=000217796-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217796

0 1
O 1.166450 -2.199542 -2.547222
O -1.077597 -0.203162 1.321384
N 1.398088 -1.905832 -0.220535
N -2.914348 -1.434733 0.589451
N 2.740602 -1.503038 -0.262535
N -3.171973 2.484857 -0.124259
C -0.718943 -2.551980 0.610429
C 0.754202 -2.327247 1.043938
C -0.623768 -2.886586 -0.915664
C 0.713223 -2.285457 -1.371599
C -1.572694 -1.284697 0.875703
C -3.926302 -0.370362 0.763476
C -4.326502 0.311458 -0.566471
C -3.248736 1.317933 -1.035252
C 3.071218 -0.133798 -0.026659
C 4.404127 0.282636 -0.290378
C 2.134197 0.787756 0.508291
C -4.168143 3.526825 -0.434096
C -1.807873 3.030614 0.036787
C 4.790234 1.612828 -0.030272
C 2.541240 2.115304 0.768397
C 3.863268 2.540240 0.503765
H -1.164276 -3.393929 1.170822
H 1.223172 -3.253989 1.428126
H 0.831124 -1.531825 1.802062
H -0.598256 -3.977316 -1.096678
H -1.444076 -2.465935 -1.520878
H -3.231084 -2.334096 0.219585
H -3.496109 0.397315 1.430169
H -4.810424 -0.814131 1.258778
H 3.252215 -1.963013 -1.025399
H -4.504842 -0.451013 -1.352608
H -5.285920 0.842960 -0.413867
H -2.264784 0.814583 -1.037232
H -3.453234 1.626494 -2.090525
H 5.130162 -0.433010 -0.696167
H 1.101946 0.482304 0.709315
H -4.156590 4.299548 0.355712
H -3.984754 4.034099 -1.416302
H -5.183723 3.092413 -0.463938
H -1.818281 3.816833 0.814331
H -1.134813 2.224562 0.374221
H -1.391301 3.480802 -0.899278
H 5.818841 1.925257 -0.244332
H 1.810355 2.821524 1.179893
H 4.167084 3.572546 0.707012


