%chk=000297843.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297843

0 1
O -2.488339 -1.059601 1.395586
O 2.338731 0.372527 -1.244749
O -1.070359 -1.550087 -2.740436
O -4.698342 -1.217782 0.888848
O 1.057334 0.308035 0.658586
N -2.623546 -2.454710 -1.349823
N 0.974068 -1.401587 -0.954793
C -3.080794 -2.842807 -0.009025
C -1.348736 -1.932936 -1.615235
C -0.318449 -1.947526 -0.489124
C -3.686122 -2.313328 -2.376257
C -3.570783 -1.625906 0.779849
C -2.662753 0.205720 2.121428
C -2.734214 1.342648 1.145885
C 4.379166 0.888166 -0.033645
C 3.150227 1.452854 -0.688376
C -1.561754 1.988963 0.731409
C -3.977904 1.758398 0.645748
C 1.390063 -0.181691 -0.401780
C 4.911026 1.508777 1.105357
C 5.007083 -0.243627 -0.572704
C -1.636510 3.058215 -0.165862
C -4.047019 2.827494 -0.250057
C -2.877027 3.480444 -0.653917
C 6.072661 1.001486 1.694732
C 6.164167 -0.750012 0.024208
C 6.700057 -0.126463 1.155977
H -2.274127 -3.367752 0.554759
H -3.927586 -3.569906 -0.091371
H -0.695146 -1.370700 0.406424
H -0.135570 -2.991748 -0.136928
H -4.494090 -1.644550 -2.033494
H -4.109941 -3.300363 -2.621724
H -3.259534 -1.885008 -3.306978
H -1.744384 0.211627 2.741568
H -3.561254 0.120485 2.758405
H 1.166085 -1.551455 -1.957516
H 3.392400 2.029715 -1.603678
H 2.528207 2.058056 -0.001317
H -0.586398 1.649812 1.097769
H -4.887331 1.232844 0.946559
H 4.421002 2.379580 1.537283
H 4.578762 -0.727717 -1.451303
H -0.725231 3.559262 -0.487218
H -5.012117 3.150445 -0.636274
H -2.932727 4.314044 -1.351945
H 6.486410 1.484161 2.578584
H 6.648582 -1.631273 -0.392990
H 7.602958 -0.520425 1.618656


%chk=000297843-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297843

0 1
O -2.987829 -0.858622 1.727275
O 2.313403 0.622052 -1.263675
O -1.067857 -2.072348 -2.690099
O -4.880911 -1.265982 0.410104
O 1.282520 0.343285 0.848832
N -2.565048 -2.756470 -1.039437
N 0.641206 -0.897926 -1.034055
C -2.963349 -2.842323 0.379207
C -1.384553 -2.160595 -1.461840
C -0.443558 -1.609960 -0.371609
C -3.547466 -3.222916 -2.040606
C -3.745596 -1.592439 0.821595
C -3.531068 0.492774 2.151105
C -3.144014 1.559209 1.152260
C 4.539953 0.928870 -0.178883
C 3.267041 1.601950 -0.646977
C -1.782896 1.934405 0.999664
C -4.134038 2.189009 0.357543
C 1.393714 0.033288 -0.373664
C 4.616557 0.361773 1.120090
C 5.670956 0.858739 -1.030930
C -1.422347 2.926092 0.062429
C -3.772657 3.191731 -0.570541
C -2.416062 3.561537 -0.719796
C 5.804059 -0.267655 1.554179
C 6.859844 0.230303 -0.597463
C 6.928476 -0.334261 0.697530
H -2.087480 -2.977175 1.031367
H -3.623590 -3.719504 0.497116
H -0.977026 -0.934003 0.319799
H -0.054114 -2.450283 0.242886
H -4.500245 -2.677866 -1.918218
H -3.729583 -4.307554 -1.923337
H -3.134424 -3.028724 -3.041409
H -3.049259 0.633116 3.131251
H -4.625019 0.403366 2.260970
H 0.728349 -1.031308 -2.047868
H 3.458553 2.311339 -1.467745
H 2.745362 2.103765 0.186736
H -1.000094 1.441353 1.589071
H -5.181835 1.882966 0.457019
H 3.737451 0.408456 1.772938
H 5.617507 1.294102 -2.036540
H -0.368106 3.199657 -0.055114
H -4.544047 3.675443 -1.179842
H -2.134147 4.334124 -1.443988
H 5.854980 -0.702510 2.558781
H 7.728669 0.182706 -1.263560
H 7.850516 -0.820190 1.036549


