%chk=000202133.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202133

0 1
O -0.330047 -0.367591 1.443272
O 1.420704 -1.644074 -1.927542
O 1.169982 1.943563 1.216777
O 4.259355 -1.386844 1.636352
N 2.855336 -1.485497 -0.189025
N 2.767273 0.351281 1.362668
N -4.606154 -1.141444 -0.354320
C 1.324429 0.458434 -0.709248
C -0.209819 0.473653 -0.840734
C 2.007048 1.374428 -1.763456
C -0.899160 -0.501797 0.135270
C 1.821134 -0.964216 -1.010084
C 1.688421 0.984421 0.685149
C 1.539495 2.822214 -1.724808
C -2.392310 -0.282551 0.153216
C 3.366896 -0.882050 0.994149
C -2.959861 0.892576 0.665124
C -3.256517 -1.277882 -0.346153
C -4.348055 1.041517 0.666273
C -5.139329 0.002280 0.147708
H -0.498806 0.214262 -1.882016
H -0.573609 1.510317 -0.675243
H 1.817137 0.951797 -2.775025
H 3.107287 1.333778 -1.619143
H -0.640412 -1.563876 -0.108974
H 0.513287 2.935748 -2.094565
H 1.564040 3.244125 -0.708364
H 2.179710 3.456210 -2.352006
H 3.234082 -2.417457 -0.428476
H 3.061933 0.750892 2.269478
H -0.605482 0.472211 1.880067
H -2.325575 1.687418 1.060709
H -2.868847 -2.219574 -0.756284
H -4.811089 1.943153 1.061342
H -6.233677 0.072476 0.127013


%chk=000202133-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202133

0 1
O -0.340088 -0.801270 1.258785
O 1.451656 -1.714329 -1.834294
O 0.996044 1.938657 1.273788
O 4.407225 -1.173807 1.711940
N 2.946864 -1.378986 -0.102434
N 2.761749 0.452974 1.378446
N -4.770608 -1.098448 -0.232946
C 1.317075 0.441669 -0.662765
C -0.214129 0.470761 -0.898854
C 2.067640 1.365072 -1.717178
C -0.970202 -0.608824 -0.077942
C 1.870303 -0.972260 -0.908322
C 1.630185 0.986677 0.738335
C 1.586052 2.828631 -1.771407
C -2.456864 -0.315820 0.049152
C 3.444685 -0.728924 1.040582
C -2.932928 0.905196 0.595512
C -3.421488 -1.277292 -0.343565
C -4.322983 1.105848 0.727764
C -5.201947 0.082504 0.300299
H -0.419178 0.298923 -1.970395
H -0.570672 1.480670 -0.636925
H 1.929063 0.884965 -2.704575
H 3.152993 1.339789 -1.495339
H -0.826516 -1.591231 -0.557191
H 0.542257 2.903928 -2.121871
H 1.650982 3.323257 -0.787245
H 2.216419 3.393031 -2.482124
H 3.377596 -2.283561 -0.320438
H 3.048034 0.889659 2.260671
H -0.604883 -0.052002 1.853578
H -2.232429 1.688677 0.913008
H -3.101624 -2.237037 -0.768514
H -4.723245 2.033701 1.148246
H -6.288238 0.201105 0.383318


