%chk=000211938.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211938

0 1
O 4.751567 1.611459 0.169988
O -4.029804 2.187897 -0.000023
N -0.150557 0.545325 0.164837
N 2.656908 -0.044825 -0.253024
C 0.320822 -0.201435 -1.047425
C 0.917190 1.503096 0.605638
C 1.592212 -1.001244 -0.694771
C 2.198861 0.721536 0.953139
C -1.436509 1.264882 -0.106610
C 3.973721 -0.605990 -0.118464
C -2.597570 0.279171 0.108262
C 5.094613 0.280728 0.016911
C 4.250524 -1.973041 -0.229925
C -3.934781 0.980656 0.089124
C 6.403515 -0.194274 0.012350
C 5.570865 -2.451659 -0.242678
C -5.157639 0.117740 0.161916
C 6.638764 -1.571450 -0.125538
C -5.133000 -1.180848 0.689069
C -6.367648 0.654306 -0.307126
C 5.825255 2.578883 0.248426
C -6.306244 -1.938524 0.736507
C -7.538214 -0.106877 -0.264061
C -7.507466 -1.404131 0.257269
H 0.529933 0.467764 -1.911589
H -0.477699 -0.906545 -1.359744
H 0.558381 2.032687 1.514228
H 1.148701 2.274164 -0.162100
H 1.351631 -1.761982 0.080332
H 1.946823 -1.535090 -1.603282
H 2.997216 1.443838 1.245466
H 2.014625 0.054189 1.822651
H -1.495502 1.709048 -1.123197
H -1.551821 2.116065 0.603484
H -2.573503 -0.523378 -0.655690
H -2.452394 -0.242797 1.080887
H 3.440453 -2.695782 -0.307298
H 7.247988 0.480893 0.107003
H 5.747526 -3.520361 -0.341958
H 7.662562 -1.939591 -0.137121
H -4.205278 -1.606084 1.071723
H -6.382297 1.675392 -0.699371
H 6.433008 2.404436 1.140355
H 5.267760 3.521129 0.327467
H 6.425224 2.558846 -0.666025
H -6.285545 -2.946057 1.148634
H -8.473342 0.312376 -0.632221
H -8.419934 -1.998639 0.293275


%chk=000211938-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211938

0 1
O 4.747623 1.685492 0.010313
O -4.017111 2.225017 0.006200
N -0.133556 0.515637 0.343218
N 2.669756 -0.183669 0.032983
C 0.325957 -0.390110 -0.737948
C 0.944334 1.487976 0.665214
C 1.607516 -1.140909 -0.329879
C 2.225427 0.758463 1.093031
C -1.411658 1.200012 0.027336
C 4.018342 -0.621863 0.004880
C -2.609351 0.235405 0.075114
C 5.108076 0.320151 -0.011324
C 4.358494 -2.001466 -0.078135
C -3.957209 0.959395 0.038870
C 6.446654 -0.120694 -0.079053
C 5.699049 -2.439362 -0.169649
C -5.218602 0.137710 0.051940
C 6.749381 -1.501414 -0.161308
C -5.206017 -1.281108 0.134803
C -6.466839 0.815161 -0.016285
C 5.819023 2.673016 -0.120883
C -6.416982 -2.005936 0.148380
C -7.675145 0.091605 -0.004166
C -7.653363 -1.322290 0.078220
H 0.527541 0.178307 -1.682302
H -0.460944 -1.136938 -0.950959
H 0.599327 2.131510 1.495842
H 1.179801 2.144271 -0.210063
H 1.366118 -1.828903 0.515649
H 1.946351 -1.749843 -1.186907
H 3.023062 1.491821 1.277563
H 2.022970 0.197033 2.034464
H -1.381999 1.714670 -0.965188
H -1.573047 1.991841 0.780295
H -2.577214 -0.492105 -0.760088
H -2.540889 -0.364318 1.005867
H 3.559861 -2.748710 -0.050938
H 7.264062 0.606757 -0.090855
H 5.914093 -3.511781 -0.231802
H 7.793072 -1.827342 -0.221369
H -4.256453 -1.823305 0.193646
H -6.455173 1.908643 -0.076831
H 6.520421 2.630681 0.735592
H 5.309359 3.648164 -0.133301
H 6.380109 2.532776 -1.065295
H -6.399379 -3.099308 0.214211
H -8.632121 0.622129 -0.057677
H -8.592827 -1.886366 0.088275


