%chk=000187076.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187076

0 1
O 3.547457 2.080885 0.132808
N -2.844193 0.884381 0.589479
C -0.635049 -0.048217 -1.169322
C -1.694321 -1.008433 -0.553500
C -1.262854 1.366058 -1.242585
C -1.098380 -2.412175 -0.364407
C -2.241735 -0.473919 0.789500
C 0.661387 -0.077524 -0.364752
C -1.793814 1.844515 0.114595
C 0.128028 -2.410399 0.554921
C -0.280046 -0.493989 -2.604304
C 1.020935 -1.207448 0.404395
C 1.539545 1.009306 -0.436893
C -3.454657 1.371145 1.863522
C 2.246374 -1.224303 1.088322
C 2.753395 0.961223 0.260724
C 3.130504 -0.145445 1.029998
H -2.552254 -1.073822 -1.268242
H -2.098905 1.348943 -1.971671
H -0.531440 2.097306 -1.634486
H -0.820397 -2.824323 -1.355101
H -1.865761 -3.099663 0.038400
H -3.041833 -1.153210 1.152671
H -1.439054 -0.476711 1.558160
H -0.953677 1.963239 0.833211
H -2.266510 2.843229 -0.001768
H 0.715559 -3.334873 0.374818
H -0.205021 -2.470168 1.613767
H 0.418813 0.206004 -3.075776
H 0.200498 -1.479361 -2.609283
H -1.169041 -0.554437 -3.239469
H 1.301963 1.894351 -1.025997
H -3.932159 2.346971 1.680019
H -2.753674 1.481170 2.703692
H -4.253643 0.675857 2.166301
H 2.521443 -2.097262 1.680912
H 4.073689 -0.171217 1.562071
H 4.391327 1.993217 0.635969


%chk=000187076-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187076

0 1
O 3.722191 2.054256 0.026692
N -2.884803 0.873636 0.600953
C -0.623486 -0.027708 -1.155364
C -1.683002 -1.007943 -0.545711
C -1.273648 1.389782 -1.204814
C -1.088659 -2.420414 -0.343817
C -2.279695 -0.466483 0.776412
C 0.693346 -0.073866 -0.344838
C -1.862829 1.844212 0.140695
C 0.102935 -2.402385 0.639750
C -0.287697 -0.438306 -2.623448
C 1.043476 -1.215359 0.440841
C 1.624209 0.988658 -0.453503
C -3.581733 1.330499 1.818016
C 2.302431 -1.240025 1.090309
C 2.870149 0.942232 0.201033
C 3.223508 -0.179353 0.986255
H -2.519148 -1.068623 -1.271764
H -2.097686 1.353865 -1.944002
H -0.550383 2.142892 -1.568224
H -0.759695 -2.820317 -1.320894
H -1.870407 -3.109111 0.032410
H -3.068458 -1.162679 1.122652
H -1.488564 -0.440913 1.570853
H -1.042308 1.962458 0.896285
H -2.346921 2.832076 0.021999
H 0.675921 -3.346017 0.550882
H -0.279862 -2.381076 1.680798
H 0.364898 0.320483 -3.093456
H 0.243310 -1.404627 -2.673085
H -1.213960 -0.516127 -3.224477
H 1.405175 1.876472 -1.053898
H -4.061772 2.307374 1.627654
H -2.902254 1.447264 2.702051
H -4.371576 0.607011 2.089739
H 2.567902 -2.117018 1.694425
H 4.192618 -0.227277 1.500036
H 4.568972 1.923356 0.521254


