%chk=000209358.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209358

0 1
O -2.524942 0.535944 -0.377533
O -0.668620 -2.085515 -0.247336
O 3.781839 -0.935311 0.089973
O -3.467019 -2.496632 0.552417
N -1.264547 1.014784 -0.154215
N 2.283247 0.810779 0.111526
N 1.543067 -1.503445 -0.098821
N 0.438782 2.497174 0.066669
C -0.088075 0.240039 -0.094519
C 0.952153 1.203985 0.035570
C -0.926764 2.364921 -0.045445
C 0.141287 -1.181192 -0.163603
C 2.621372 -0.578008 0.033548
C 3.356565 1.825028 0.252452
C -1.896437 3.472825 -0.065077
C 1.931205 -2.938665 -0.201414
C -3.123103 -0.107191 0.817769
C -3.977685 -1.217137 0.199038
H 3.326328 2.534195 -0.594393
H 4.347014 1.330679 0.272496
H 3.221234 2.395866 1.188513
H -1.639859 4.205012 -0.853547
H -2.927418 3.132747 -0.250817
H -1.883890 4.028876 0.889262
H 1.092691 -3.579861 0.129209
H 2.814261 -3.146480 0.429729
H 2.179137 -3.195170 -1.245440
H -2.349956 -0.518940 1.490294
H -3.698884 0.676097 1.331422
H -4.018184 -1.114232 -0.905427
H -5.004569 -1.227557 0.613121
H -2.560030 -2.628512 0.154875


%chk=000209358-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209358

0 1
O -2.520940 0.451459 -0.510922
O -0.663919 -2.169762 -0.416134
O 3.862175 -0.978903 0.041441
O -3.102256 -2.343411 0.787782
N -1.232649 0.944536 -0.184576
N 2.292695 0.765182 0.110581
N 1.595469 -1.529471 -0.199406
N 0.457302 2.419871 0.098887
C -0.056464 0.170113 -0.147037
C 0.958029 1.125726 0.031687
C -0.893495 2.284665 -0.047991
C 0.194394 -1.238352 -0.267044
C 2.660650 -0.596067 -0.012382
C 3.336189 1.791609 0.305373
C -1.892647 3.392472 -0.072759
C 2.017539 -2.946009 -0.320424
C -3.367554 0.126563 0.715259
C -3.993043 -1.249022 0.472489
H 3.317494 2.512345 -0.528925
H 4.306352 1.275629 0.341260
H 3.157554 2.336732 1.246991
H -1.365131 4.344849 -0.230681
H -2.630237 3.241105 -0.879801
H -2.448804 3.463760 0.881043
H 1.110061 -3.550993 -0.456306
H 2.557302 -3.256277 0.588841
H 2.694998 -3.062486 -1.181654
H -2.719109 0.110185 1.608324
H -4.124346 0.930148 0.789243
H -4.367337 -1.288156 -0.574870
H -4.862145 -1.358679 1.147756
H -2.267925 -2.304257 0.224248


