%chk=000219078.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219078

0 1
O -0.681561 1.355419 1.790747
O -0.728344 -1.008095 -1.359672
O -4.724943 -0.667102 1.007195
N 0.153603 -1.141174 0.758530
N -3.149238 -0.119161 -0.548014
C -2.061911 -0.094731 0.449404
C -1.770671 1.372805 0.845260
C -0.817977 -0.766746 -0.163803
C 1.445043 -1.699934 0.289952
C 2.437573 -0.605584 -0.027108
C -4.447387 -0.500924 -0.167065
C 2.322831 0.099843 -1.235020
C 3.460024 -0.285057 0.874936
C 3.229904 1.117193 -1.537262
C 4.366644 0.734587 0.566875
C -5.423333 -0.623211 -1.300554
C 4.253162 1.435987 -0.636998
C 0.493224 2.076242 1.364440
H -2.387506 -0.655857 1.376831
H -1.560656 2.008347 -0.027777
H -2.625345 1.790947 1.413628
H 1.261182 -2.327615 -0.619368
H 1.828472 -2.389417 1.075693
H -2.848545 -0.127584 -1.526344
H 0.163535 -0.687044 1.680144
H 1.518246 -0.153237 -1.932466
H 3.556137 -0.828613 1.812878
H 3.143441 1.659852 -2.477568
H 5.164468 0.979392 1.266309
H -6.430683 -0.838293 -0.906250
H -5.498892 0.297337 -1.894348
H -5.163994 -1.443646 -1.983926
H 4.962112 2.226430 -0.876354
H 0.898886 1.657678 0.437028
H 0.264204 3.140075 1.256423
H 1.187695 1.916191 2.198824


%chk=000219078-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219078

0 1
O -0.839202 1.107175 2.019968
O -0.826399 -1.731230 -1.193653
O -4.760499 0.345780 0.780311
N 0.354076 -0.981438 0.682598
N -3.043010 -0.424042 -0.580581
C -2.011914 -0.333183 0.454566
C -1.718991 1.138668 0.836358
C -0.766691 -1.080039 -0.096116
C 1.633125 -1.619584 0.314021
C 2.665550 -0.626174 -0.214300
C -4.369800 -0.130523 -0.334001
C 2.429809 0.064150 -1.432177
C 3.866961 -0.379097 0.493314
C 3.376981 0.985875 -1.927446
C 4.818311 0.544131 -0.001298
C -5.331836 -0.408227 -1.484382
C 4.574683 1.230005 -1.212551
C -0.561191 2.443710 2.549476
H -2.362049 -0.830888 1.382619
H -1.222712 1.678343 0.001781
H -2.677173 1.628765 1.091678
H 1.390981 -2.372237 -0.457577
H 2.032637 -2.147321 1.199648
H -2.738009 -0.925683 -1.426125
H 0.307850 -0.308687 1.466624
H 1.507169 -0.134266 -1.990865
H 4.061560 -0.911436 1.433208
H 3.187791 1.508599 -2.871948
H 5.744883 0.725222 0.555169
H -5.865979 0.522191 -1.743186
H -4.833266 -0.799398 -2.387415
H -6.090447 -1.136845 -1.149363
H 5.310967 1.943886 -1.598685
H -0.021337 3.065914 1.806418
H -1.502717 2.951674 2.838296
H 0.069286 2.301511 3.440816


