%chk=000298540.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298540

0 1
O -0.268161 0.445042 0.964724
O -2.044084 2.110132 -1.141007
O -0.100535 3.218396 -0.602513
O -2.630758 -1.535316 0.934502
O -4.475753 -1.146039 -0.381838
O 3.118209 1.739507 -1.129125
O 5.223008 -2.165055 -0.035753
N 1.968428 0.287704 0.269426
N 4.175732 -0.225848 -0.561564
N 2.921636 -4.039899 2.158536
C -1.017548 1.115521 -1.213449
C 0.296478 1.874704 -0.869123
C -1.164684 0.026077 -0.128981
C 0.799489 1.235655 0.455358
C -2.530365 -0.149727 0.553027
C -1.552083 3.309935 -0.467688
C -3.761668 0.106423 -0.337122
C -3.663533 -2.211432 0.161180
C -2.001821 4.505492 -1.273245
C -1.938180 3.288553 0.994568
C -3.019247 -3.001409 -0.964358
C -4.513775 -3.010116 1.124597
C 1.961855 -0.922131 0.959302
C 3.109222 0.687266 -0.524705
C 3.014065 -1.796818 0.891016
C 4.224699 -1.506224 0.114085
C 2.967914 -3.034197 1.589554
H -1.079886 0.716891 -2.244671
H 1.059157 1.952594 -1.674514
H -0.782887 -0.958782 -0.483976
H 1.046996 1.980024 1.250187
H -2.551970 0.409795 1.517055
H -4.471003 0.830795 0.097146
H -3.534639 0.390181 -1.378501
H -2.883098 4.997419 -0.846441
H -1.194532 5.252361 -1.341253
H -2.252321 4.214434 -2.305541
H -1.530954 2.407099 1.512475
H -1.554368 4.175458 1.517369
H -3.027792 3.270483 1.122225
H -3.748355 -3.661198 -1.452713
H -2.616634 -2.343562 -1.741818
H -2.199643 -3.626657 -0.588451
H -4.728932 -2.426670 2.031833
H -5.478924 -3.272116 0.670545
H -4.015070 -3.933948 1.440764
H 1.056269 -1.144691 1.562315
H 5.001643 0.049188 -1.120139


%chk=000298540-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298540

0 1
O -0.357389 0.465232 0.909105
O -2.047849 2.329125 -1.060797
O -0.018574 3.411127 -0.525141
O -2.460212 -1.640504 0.709670
O -4.484802 -1.469950 -0.522311
O 3.297515 2.186829 -0.281032
O 5.297165 -2.043804 -0.289387
N 1.958914 0.328168 0.248856
N 4.246890 0.041734 -0.286727
N 2.672554 -4.454113 0.865847
C -0.989651 1.327883 -1.250925
C 0.339082 2.024334 -0.800221
C -1.129049 0.097807 -0.329907
C 0.774431 1.254155 0.491161
C -2.537130 -0.297326 0.090541
C -1.493934 3.516333 -0.338256
C -3.521891 -0.509477 -1.080863
C -3.722477 -2.383241 0.371791
C -1.965583 4.777380 -1.054910
C -1.866781 3.461859 1.149347
C -3.323502 -3.668910 -0.359359
C -4.560129 -2.600947 1.630248
C 1.871619 -1.024255 0.520918
C 3.189436 0.942968 -0.121308
C 2.942048 -1.890780 0.361585
C 4.251840 -1.375440 -0.090920
C 2.796714 -3.286687 0.638461
H -0.992916 1.042989 -2.316269
H 1.133426 2.041349 -1.559221
H -0.644365 -0.780579 -0.805898
H 1.046321 1.959345 1.292619
H -2.936601 0.437165 0.813241
H -4.074110 0.400162 -1.355508
H -3.009009 -0.929365 -1.972818
H -3.064809 4.853262 -1.003810
H -1.525803 5.669178 -0.577458
H -1.654915 4.746924 -2.111088
H -1.530617 2.519034 1.612043
H -1.398810 4.309103 1.679606
H -2.962133 3.539748 1.262226
H -4.218293 -4.277995 -0.573541
H -2.820273 -3.432795 -1.312490
H -2.631031 -4.260413 0.263921
H -4.733198 -1.639482 2.140330
H -5.536200 -3.041054 1.362251
H -4.038431 -3.284429 2.321334
H 0.902161 -1.364589 0.894689
H 5.141948 0.458239 -0.566324


