%chk=000200616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200616

0 1
O -2.596314 -0.934383 -0.038824
O -4.685969 0.662609 -0.465178
O 4.261375 1.102492 0.602196
O 3.320215 -0.406162 2.847026
N -1.877014 2.917055 0.343683
C -3.640585 1.215906 0.337227
C -2.800282 2.161501 -0.550324
C -0.676059 3.433592 -0.381696
C 0.362384 3.937277 0.639508
C -2.811853 0.086240 0.973056
C 1.127009 2.792828 1.248036
C -1.391162 -0.974988 -0.713857
C -1.386570 -1.973450 -1.754241
C 2.367478 2.418397 0.708566
C 0.600870 2.086402 2.335094
C -0.196050 -2.125056 -2.511648
C 3.073094 1.339131 1.254010
C -0.293968 -0.191000 -0.443699
C 1.301940 1.010663 2.893326
C 2.533796 0.628821 2.361503
C -2.516776 -2.797471 -2.034788
C 0.940455 -1.304205 -2.219785
C 0.887114 -0.371916 -1.213438
C -0.168145 -3.105413 -3.553984
C -2.460550 -3.730977 -3.040859
C -1.270819 -3.883486 -3.809197
C 5.082642 -0.002603 1.056809
C 2.700752 -1.318161 3.785713
H -4.195502 1.783415 1.120276
H -3.485975 2.804614 -1.142375
H -2.224414 1.563738 -1.291445
H -0.233140 2.605638 -0.983418
H -0.922189 4.248144 -1.096131
H 1.054075 4.642705 0.135232
H -0.130525 4.532807 1.435297
H -2.379861 3.698642 0.777990
H -1.862694 0.454745 1.405090
H -3.392155 -0.474106 1.729612
H 2.800263 2.951509 -0.136303
H -0.369573 2.366530 2.742139
H -4.334997 -0.082004 -1.014501
H -0.305264 0.563203 0.347371
H 0.876778 0.482329 3.742704
H -3.414349 -2.668132 -1.427569
H 1.844346 -1.438011 -2.808826
H 1.753582 0.251741 -0.979361
H 0.744118 -3.219849 -4.136447
H -3.315891 -4.364924 -3.264150
H -1.253317 -4.630572 -4.601974
H 5.941639 0.061943 0.380182
H 4.539875 -0.945991 0.938519
H 5.375930 0.152148 2.101144
H 2.477002 -0.801316 4.723136
H 1.808368 -1.773814 3.346733
H 3.493560 -2.063173 3.928040


%chk=000200616-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200616

0 1
O -2.921805 -0.772921 -0.714968
O -4.930220 1.153151 -0.778028
O 3.809380 0.615514 0.302167
O 3.413942 -0.498717 2.894086
N -1.747278 2.740806 0.476216
C -3.788271 1.364063 0.122489
C -2.775999 2.342963 -0.511236
C -0.684497 3.618055 -0.062048
C 0.325778 4.029581 1.039595
C -3.171925 0.010675 0.517153
C 1.146567 2.870005 1.583341
C -1.605092 -1.077840 -1.127178
C -1.522702 -2.146976 -2.093351
C 2.158661 2.281266 0.785188
C 0.927121 2.336879 2.873194
C -0.215642 -2.524990 -2.589050
C 2.914246 1.179678 1.231852
C -0.457818 -0.417362 -0.673428
C 1.675725 1.233327 3.344616
C 2.662255 0.633381 2.528642
C -2.682828 -2.838959 -2.570515
C 0.949402 -1.845763 -2.099686
C 0.826322 -0.819646 -1.162822
C -0.127818 -3.582550 -3.554709
C -2.561342 -3.865899 -3.511131
C -1.273393 -4.239543 -4.009910
C 5.198936 0.367421 0.740361
C 3.084440 -1.142631 4.168090
H -4.227518 1.825162 1.029748
H -3.354434 3.202189 -0.924753
H -2.269894 1.850932 -1.364701
H -0.154895 3.063853 -0.861708
H -1.097524 4.545732 -0.532130
H 0.995081 4.798521 0.606256
H -0.225494 4.523639 1.865155
H -2.180040 3.165506 1.310813
H -2.252732 0.151081 1.109543
H -3.908533 -0.583303 1.085780
H 2.379900 2.663606 -0.218189
H 0.159152 2.777039 3.519941
H -4.641884 0.476989 -1.447492
H -0.522132 0.415436 0.036778
H 1.470393 0.835167 4.343040
H -3.662067 -2.550979 -2.178080
H 1.936871 -2.142859 -2.470516
H 1.719771 -0.307462 -0.792107
H 0.862045 -3.868158 -3.930770
H -3.454266 -4.390341 -3.869251
H -1.190325 -5.045429 -4.747848
H 5.712933 -0.015625 -0.154448
H 5.229575 -0.372736 1.555835
H 5.671256 1.313851 1.068087
H 3.287167 -0.471319 5.025326
H 2.025773 -1.465445 4.189209
H 3.742372 -2.022411 4.222752


