%chk=000296905.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296905

0 1
O -3.713591 -2.968928 0.121732
O -1.576931 -3.216833 -0.040012
O -4.602564 3.124739 0.134684
O -5.798432 1.324491 0.244859
N 1.222778 -0.524916 -0.296083
N 0.006315 -1.182093 -0.189165
N -2.590245 -2.511632 0.030338
N -4.731776 1.910887 0.155831
C 3.471455 1.135368 -0.613131
C 4.812001 0.885101 1.203733
C 3.628685 -0.418441 -0.494825
C 3.459328 1.578314 0.876250
C 4.519917 -0.581684 0.778323
C 4.840052 1.695693 -1.095900
C 5.758170 1.519160 0.144641
C 2.337791 -1.201274 -0.363832
C 2.472122 -2.693143 -0.341933
C -1.139599 -0.426769 -0.105422
C -2.421106 -1.070626 0.002284
C -1.102104 1.010933 -0.120732
C -3.593534 -0.285567 0.086953
C -2.248187 1.751222 -0.037484
C -3.514245 1.097884 0.067790
H 2.615204 1.455462 -1.217716
H 5.165470 0.984238 2.235897
H 4.158279 -0.808891 -1.395434
H 2.606625 1.187286 1.444702
H 3.474086 2.665745 1.013072
H 3.999579 -1.123942 1.582289
H 5.440005 -1.140349 0.558378
H 4.749245 2.754763 -1.381551
H 5.225377 1.164746 -1.976882
H 6.626599 0.881713 -0.070435
H 6.152109 2.485028 0.494529
H 3.521290 -3.024472 -0.349950
H 2.019596 -3.139869 0.557076
H 1.994950 -3.160239 -1.217939
H -0.055235 -2.229258 -0.173621
H -0.124534 1.501164 -0.201178
H -4.575059 -0.788383 0.168840
H -2.225988 2.849371 -0.048978


%chk=000296905-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296905

0 1
O -3.699376 -3.091610 0.123111
O -1.431533 -3.234726 -0.039567
O -4.827265 3.085102 0.109939
O -5.998620 1.125369 0.225484
N 1.209915 -0.368753 -0.295013
N 0.006476 -1.072796 -0.183865
N -2.544401 -2.531216 0.029727
N -4.894747 1.792089 0.134115
C 3.577842 1.180352 -0.598772
C 4.943081 0.853185 1.203278
C 3.639276 -0.374879 -0.489146
C 3.625377 1.620319 0.893137
C 4.560087 -0.599208 0.792975
C 4.965990 1.670573 -1.109277
C 5.911924 1.433725 0.129021
C 2.310783 -1.095772 -0.362502
C 2.334647 -2.615931 -0.327803
C -1.180930 -0.386969 -0.106313
C -2.450138 -1.074379 -0.001121
C -1.202955 1.048359 -0.127715
C -3.663953 -0.356604 0.077090
C -2.399551 1.752843 -0.050368
C -3.630224 1.041475 0.052080
H 2.720664 1.542448 -1.185485
H 5.321133 0.928209 2.236271
H 4.147507 -0.799943 -1.379754
H 2.759538 1.266040 1.478342
H 3.722860 2.713945 1.015504
H 3.995086 -1.095000 1.604645
H 5.445567 -1.220087 0.568458
H 4.920779 2.742221 -1.374908
H 5.298106 1.121473 -2.009448
H 6.740995 0.737811 -0.094682
H 6.360791 2.381471 0.477278
H 3.369915 -2.988176 -0.353332
H 1.852819 -3.020167 0.584359
H 1.797501 -3.046994 -1.196338
H -0.075690 -2.109295 -0.162109
H -0.242545 1.560505 -0.207173
H -4.612022 -0.894609 0.156061
H -2.420811 2.845601 -0.066183


