%chk=000255922.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255922

0 1
O -2.810708 1.920495 0.052563
O -0.262133 1.768028 0.019251
O 4.111011 -2.844256 0.127822
O 1.971102 -2.602299 0.151324
O -6.344203 0.057871 0.175219
O -5.247548 1.920068 0.088409
N 0.868041 -0.241681 0.078190
N 3.118235 -2.142136 0.116446
N -5.309125 0.709147 0.135137
C 2.203411 0.232456 0.040122
C 3.283392 -0.689771 0.058987
C -1.590841 -0.184673 0.113200
C 4.892529 1.145296 -0.034736
C 2.501729 1.615799 -0.016983
C 4.617598 -0.213237 0.021040
C -0.304351 0.535268 0.066545
C 3.811063 2.059419 -0.053411
C -2.788939 0.592980 0.101971
C -4.055069 -0.058551 0.145429
C -1.700034 -1.584467 0.167675
C 6.294470 1.652573 -0.074859
C -4.114798 -1.458192 0.199154
C -2.941408 -2.215267 0.210125
H 0.757466 -1.288098 0.119573
H 1.679200 2.346687 -0.032474
H 5.432983 -0.948374 0.036924
H 4.017406 3.132464 -0.097333
H -0.790574 -2.201773 0.177340
H 7.041779 0.846825 -0.057193
H 6.483713 2.240592 -0.985776
H 6.511120 2.304840 0.784741
H -5.099868 -1.947381 0.232394
H -2.999335 -3.303945 0.252057
H -1.855213 2.359894 0.021327


%chk=000255922-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255922

0 1
O -2.789319 1.982663 0.041225
O -0.308552 1.878927 0.015976
O 4.061991 -2.888015 0.113599
O 1.816545 -2.565373 0.137621
O -6.452084 -0.142792 0.179142
O -5.440509 1.893550 0.074251
N 0.850186 -0.153904 0.071844
N 3.048526 -2.098813 0.102878
N -5.394655 0.610900 0.131147
C 2.180890 0.301528 0.036053
C 3.264939 -0.646850 0.050815
C -1.608131 -0.158599 0.115026
C 4.949329 1.143446 -0.033638
C 2.531497 1.681695 -0.014524
C 4.617746 -0.220444 0.016111
C -0.319818 0.583547 0.065018
C 3.875651 2.080865 -0.047855
C -2.832001 0.626558 0.098203
C -4.079622 -0.080645 0.144411
C -1.681809 -1.574045 0.178408
C 6.390702 1.609932 -0.071425
C -4.112861 -1.488707 0.206523
C -2.920249 -2.237463 0.224083
H 0.805884 -1.191830 0.106356
H 1.725138 2.415433 -0.026599
H 5.393916 -0.990199 0.029571
H 4.103219 3.152812 -0.086440
H -0.774728 -2.187852 0.194547
H 7.094406 0.761614 -0.050622
H 6.595319 2.197482 -0.985712
H 6.621001 2.262359 0.791265
H -5.093599 -1.970474 0.240687
H -2.957363 -3.328773 0.273093
H -1.779485 2.258069 0.019159


