%chk=000235078.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235078

0 1
O 6.550795 0.768146 0.323356
O 0.098671 0.420369 -0.547537
O -2.482608 -1.599057 1.220578
N 1.486193 -1.452880 -0.453532
N -0.841160 -1.666059 -0.997239
N -2.101430 -1.039116 -0.971200
N -6.161695 1.754679 0.148958
C 2.752104 -0.794310 -0.263152
C 3.912763 -1.598439 -0.348650
C 2.853763 0.574603 0.023113
C 5.250244 0.347711 0.145664
C 5.161828 -1.031970 -0.143063
C 4.109320 1.152584 0.228844
C -3.971272 0.012702 0.207241
C 0.269337 -0.784682 -0.617586
C -2.796294 -0.914642 0.269426
C -5.269390 -0.496311 0.305266
C -3.763985 1.390921 0.083691
C -6.340421 0.414525 0.269806
C -4.892157 2.228939 0.061964
C 6.770392 2.166273 0.628876
H 3.836993 -2.661436 -0.573740
H 1.954676 1.199734 0.083688
H 6.073183 -1.625066 -0.200066
H 4.176882 2.214091 0.449299
H 1.533657 -2.459957 -0.619064
H -0.884866 -2.577438 -0.501786
H -2.171709 -0.288587 -1.675218
H -5.447631 -1.565455 0.415094
H -2.758538 1.809290 0.020482
H -7.380097 0.070829 0.341938
H -4.788863 3.317752 -0.028340
H 7.864427 2.206179 0.714929
H 6.293558 2.428294 1.577672
H 6.419429 2.795585 -0.193914


%chk=000235078-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235078

0 1
O 7.043740 0.412841 0.121488
O 0.369839 1.061159 -0.101574
O -3.113544 -2.193673 0.095806
N 1.557925 -0.992914 0.073393
N -0.776584 -0.941356 0.013512
N -1.966554 -0.213501 -0.067352
N -6.938649 1.210613 -0.249028
C 2.915507 -0.550081 0.079136
C 3.925020 -1.548466 0.166141
C 3.293263 0.812659 0.004345
C 5.660569 0.169112 0.102959
C 5.283152 -1.195070 0.178253
C 4.660567 1.167467 0.016348
C -4.419691 -0.131910 -0.107991
C 0.413678 -0.210307 -0.009250
C -3.147954 -0.917381 -0.021121
C -5.636447 -0.843395 0.036943
C -4.489757 1.268270 -0.330304
C -6.856500 -0.138626 -0.038864
C -5.758482 1.885639 -0.391547
C 7.480975 1.808064 0.040339
H 3.647177 -2.608995 0.224771
H 2.520513 1.580666 -0.062982
H 6.065893 -1.956199 0.244726
H 4.925454 2.227301 -0.043105
H 1.430632 -2.005376 0.134922
H -0.936832 -1.951258 0.099857
H -1.813181 0.798352 -0.131507
H -5.604624 -1.924032 0.202928
H -3.597873 1.889895 -0.466255
H -7.812775 -0.661495 0.070898
H -5.844811 2.964264 -0.563258
H 8.579656 1.767347 0.069622
H 7.106633 2.398680 0.899313
H 7.150164 2.279505 -0.905764


