%chk=000202607.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202607

0 1
O 3.129517 2.410726 -0.988924
O -3.700988 0.407259 -0.466714
O 4.859748 1.446202 0.097631
O -6.918820 1.744408 -0.841776
O -4.954229 2.665357 -0.898860
N 0.847298 -1.820624 0.116367
N -5.700141 1.712298 -0.777661
C 3.197517 -1.070848 0.111317
C 2.737716 0.262068 -0.147381
C 2.202023 -2.089361 0.229773
C 0.453141 -0.564224 -0.115785
C 1.390422 0.518322 -0.257952
C 4.570615 -1.439035 0.257314
C 2.594085 -3.447764 0.478286
C 3.716930 1.381952 -0.293312
C -0.987993 -0.276105 -0.233051
C 4.919265 -2.744157 0.495990
C 3.922136 -3.759639 0.605368
C -1.944430 -1.213004 -0.114580
C -3.357476 -0.930565 -0.228805
C -4.496153 -1.717594 -0.152576
C 3.916310 3.629742 -1.205862
C -5.104256 0.410116 -0.533958
C -5.618705 -0.857981 -0.348474
C 3.933886 4.459893 0.058700
H 1.025922 1.529817 -0.460940
H 5.336732 -0.657081 0.186727
H 1.810692 -4.203254 0.560560
H -1.243355 0.773568 -0.427765
H 5.966544 -3.026912 0.608687
H 4.239271 -4.785873 0.793793
H -1.696166 -2.268610 0.079896
H -4.540007 -2.778212 0.020987
H 4.927567 3.338773 -1.541774
H 3.343006 4.094030 -2.029698
H -6.659520 -1.143299 -0.350832
H 4.384404 5.445003 -0.115211
H 2.922339 4.622310 0.452999
H 4.517451 3.968498 0.852196


%chk=000202607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202607

0 1
O 3.077720 2.569944 -0.866083
O -3.806262 0.396112 -0.544220
O 4.995458 1.333501 -0.422808
O -7.212522 1.455827 -0.903201
O -5.242230 2.630419 -1.118557
N 0.825483 -1.799549 0.134522
N -5.914354 1.549536 -0.884022
C 3.217853 -1.073010 0.048532
C 2.776546 0.265804 -0.288209
C 2.173078 -2.072948 0.248716
C 0.446633 -0.532578 -0.182683
C 1.402839 0.514953 -0.398693
C 4.584316 -1.479803 0.195030
C 2.535790 -3.420282 0.583145
C 3.743309 1.393653 -0.516714
C -0.983916 -0.234389 -0.303174
C 4.900859 -2.802182 0.521550
C 3.875467 -3.780890 0.717571
C -1.968850 -1.173203 -0.112412
C -3.377021 -0.915620 -0.219546
C -4.508299 -1.737845 -0.060947
C 3.930479 3.780176 -1.089405
C -5.203104 0.345623 -0.576812
C -5.668645 -0.935752 -0.288233
C 4.200326 4.503741 0.232428
H 1.058624 1.520085 -0.652352
H 5.371268 -0.737628 0.048557
H 1.721848 -4.137451 0.724321
H -1.260294 0.796080 -0.558081
H 5.951425 -3.093620 0.629067
H 4.147545 -4.810730 0.972626
H -1.671343 -2.197190 0.141172
H -4.484988 -2.796117 0.190918
H 4.869358 3.460922 -1.574310
H 3.329468 4.390157 -1.782167
H -6.713040 -1.233367 -0.251253
H 4.755847 5.439020 0.034053
H 3.255911 4.765461 0.739638
H 4.809718 3.879339 0.906737


