%chk=000297818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297818

0 1
O -5.744463 1.462939 1.948096
O -3.748151 2.532940 1.973998
O -3.568102 -2.080131 0.546855
O 4.025421 1.233267 -1.421525
O -0.037039 0.573778 -0.084382
O 3.703962 -1.002001 -1.851483
N -2.836520 0.088058 0.664441
N -0.418792 -1.661206 -0.326505
N 1.964971 0.559027 -2.049162
C -3.992954 0.446741 -2.155012
C -4.249587 1.386104 -0.955037
C -4.170704 0.659600 0.397749
C -4.060163 1.256127 -3.456886
C -4.985825 -0.718119 -2.187535
C -4.458130 1.674068 1.514632
C -2.650529 -1.289010 0.680810
C -1.199978 -1.743635 0.919768
C -6.240562 2.336371 2.998321
C 0.125340 -0.448274 -0.734489
C 0.912095 -0.474360 -2.047002
C 5.675750 0.595622 0.236767
C 5.456457 1.006757 -1.190303
C 3.270894 0.128081 -1.746350
C 5.541230 -0.752105 0.603148
C 6.015522 1.552345 1.203462
C 5.758245 -1.139902 1.927181
C 6.232665 1.158892 2.527355
C 6.106658 -0.185917 2.889614
H -2.961016 0.026210 -2.055708
H -5.251583 1.851137 -1.054770
H -3.523467 2.224114 -0.982478
H -4.944148 -0.168626 0.436220
H -3.342943 2.083487 -3.459406
H -3.838430 0.626540 -4.325615
H -5.056318 1.683649 -3.617805
H -4.856201 -1.330104 -3.086223
H -4.848848 -1.387995 -1.323373
H -6.025008 -0.374470 -2.176340
H -2.037262 0.740782 0.675284
H -1.216172 -2.796482 1.288809
H -0.720029 -1.127946 1.721571
H -0.351856 -2.510527 -0.877587
H -7.166921 1.839494 3.305599
H -6.426969 3.327635 2.575317
H -5.514953 2.392324 3.816735
H 1.362880 -1.476495 -2.262176
H 0.211680 -0.254655 -2.892623
H 1.669894 1.476271 -1.685464
H 5.826485 0.256768 -1.915124
H 5.861460 2.007868 -1.433395
H 5.253539 -1.491820 -0.150172
H 6.105230 2.602165 0.928554
H 5.654725 -2.186236 2.209741
H 6.497044 1.902424 3.277393
H 6.276877 -0.490071 3.921013


%chk=000297818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297818

0 1
O -6.051845 2.218620 1.055267
O -4.246262 1.700618 2.434876
O -4.683725 -2.293283 -0.053295
O 3.269446 1.172401 -0.343768
O -0.672082 -0.531114 1.389502
O 3.295390 -0.871916 -1.540061
N -3.540513 -0.407919 0.738320
N -1.310152 -2.540856 0.419168
N 1.619245 -0.349316 0.004278
C -3.624229 0.545461 -2.224096
C -3.958241 1.397646 -0.972094
C -4.506897 0.573732 0.236452
C -2.912783 1.431664 -3.274580
C -4.882550 -0.125436 -2.825397
C -4.887607 1.524930 1.375055
C -3.705762 -1.762744 0.560587
C -2.574609 -2.620841 1.177600
C -6.504011 3.216098 2.057779
C -0.428512 -1.502649 0.599599
C 0.883593 -1.588741 -0.192434
C 5.758242 1.116290 -0.146958
C 4.574573 1.548136 -0.986160
C 2.770563 -0.093986 -0.694366
C 6.323575 -0.175178 -0.312354
C 6.316648 1.997376 0.813442
C 7.426304 -0.576456 0.473716
C 7.419600 1.597097 1.600305
C 7.977159 0.308234 1.430874
H -2.919693 -0.255055 -1.915155
H -4.718544 2.157540 -1.238436
H -3.049147 1.940577 -0.641908
H -5.407128 0.018767 -0.080548
H -1.988710 1.883370 -2.867122
H -2.637880 0.841043 -4.167899
H -3.574248 2.254925 -3.607848
H -4.625927 -0.666290 -3.755282
H -5.327422 -0.859038 -2.130159
H -5.647444 0.634550 -3.078635
H -2.715371 -0.076508 1.260336
H -2.920567 -3.665523 1.184787
H -2.374040 -2.291374 2.212737
H -1.117922 -3.254061 -0.286654
H -7.409032 3.660378 1.621313
H -5.721790 3.976678 2.218967
H -6.726716 2.715952 3.014957
H 1.469626 -2.464799 0.155339
H 0.678970 -1.756071 -1.268860
H 1.246974 0.315569 0.689972
H 4.599487 1.091870 -1.990832
H 4.503925 2.644782 -1.060807
H 5.883020 -0.858205 -1.047459
H 5.883482 2.996578 0.946077
H 7.857608 -1.574813 0.339096
H 7.844642 2.285890 2.338992
H 8.834692 -0.003103 2.038279


