%chk=000213172.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213172

0 1
O 1.093714 -1.764833 -0.270998
O -1.725444 -0.223512 0.351886
O 1.072990 0.163794 -1.504037
O -0.071737 0.866993 1.499704
O 2.994107 1.034457 2.519107
O -0.489779 2.774122 -2.603896
O 2.240671 2.935321 1.594181
O 1.534967 3.220608 -1.745387
N 2.753814 -0.249880 0.076469
N -1.373904 1.976504 -0.101956
C -1.174916 -2.587685 0.096960
C -2.483352 -2.904179 -0.668515
C -0.125172 -2.189820 -0.969136
C -1.407547 -1.441977 1.106714
C -0.656408 -3.800361 0.882617
C -3.591753 -3.499075 0.210122
C -4.894350 -3.660354 -0.570432
C 1.576960 -0.521115 -0.632531
C -0.941120 0.875241 0.647131
C 3.171161 1.162558 0.157880
C -0.423309 3.093720 -0.255031
C 2.723462 1.840925 1.440818
C 0.358708 3.034020 -1.555631
H -2.271917 -3.598760 -1.503881
H -2.853455 -1.966183 -1.135097
H 0.206175 -3.048890 -1.576094
H -0.489649 -1.373408 -1.624055
H -0.519752 -1.270426 1.746983
H -2.304928 -1.605684 1.728750
H -1.280689 -4.033287 1.751363
H -0.626418 -4.699258 0.256025
H 0.366798 -3.624968 1.244358
H -3.765612 -2.849868 1.092134
H -3.274931 -4.482203 0.609927
H -4.769512 -4.317079 -1.438821
H -5.267637 -2.697563 -0.939129
H -5.680289 -4.095035 0.057931
H 2.952055 -0.811084 0.913578
H -1.973819 1.800040 -0.916582
H 2.779197 1.752165 -0.725662
H 4.287523 1.205745 0.087378
H 0.305426 3.126634 0.610783
H -0.996868 4.054151 -0.213077
H 2.635557 1.403678 3.373429
H -0.005018 2.639510 -3.465078


%chk=000213172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213172

0 1
O 1.152229 -1.791816 -0.314409
O -1.752264 -0.182107 0.447952
O 1.064704 0.261418 -1.481298
O 0.032339 0.954400 1.500811
O 3.017673 0.896605 2.589551
O -0.640748 2.674987 -2.674949
O 2.591988 3.013285 1.727278
O 1.396169 3.510751 -1.928347
N 2.732978 -0.211941 0.104768
N -1.326338 1.979633 -0.118530
C -1.175920 -2.590145 0.135067
C -2.497356 -2.896786 -0.640746
C -0.128296 -2.207819 -0.942685
C -1.368985 -1.436027 1.148634
C -0.674262 -3.822135 0.933963
C -3.654219 -3.499748 0.189350
C -4.919339 -3.719507 -0.669197
C 1.610117 -0.497095 -0.635977
C -0.922219 0.934546 0.678700
C 3.232390 1.159660 0.203246
C -0.457824 3.140137 -0.317392
C 2.889129 1.817131 1.543393
C 0.236282 3.127114 -1.682520
H -2.262927 -3.597553 -1.470478
H -2.849621 -1.956494 -1.110508
H 0.107301 -3.088599 -1.566631
H -0.487416 -1.382342 -1.582181
H -0.442775 -1.248562 1.719452
H -2.191507 -1.667572 1.847041
H -1.323533 -4.041576 1.800691
H -0.659346 -4.720524 0.289142
H 0.351164 -3.649837 1.305724
H -3.905498 -2.829438 1.035201
H -3.341595 -4.465379 0.631618
H -4.713517 -4.407322 -1.511242
H -5.278745 -2.764769 -1.096855
H -5.741659 -4.153752 -0.071715
H 2.979869 -0.867544 0.848645
H -2.029099 1.777642 -0.832330
H 2.795364 1.768583 -0.603420
H 4.333573 1.180826 0.088125
H 0.316835 3.155762 0.465103
H -1.039811 4.079151 -0.241708
H 2.713001 1.313418 3.439169
H -0.154285 2.595042 -3.538304


