%chk=000235053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235053

0 1
O 4.056350 1.135465 2.715672
N 1.660496 0.312892 0.073942
N -0.964056 -1.897863 -0.161714
N -1.782806 1.747916 0.675676
C 0.163973 0.277987 0.125632
C -0.463447 -0.931861 0.871274
C -0.291772 1.632096 0.738604
C 2.236955 -0.701849 -0.866315
C 2.320706 0.242544 1.412052
C 1.899553 -0.338608 -2.333808
C -2.436838 -2.104894 -0.072308
C -0.171273 -3.169084 -0.154090
C -2.281592 1.915954 -0.728466
C -2.297923 2.803597 1.595654
C 3.475130 1.258733 1.397862
C 2.641781 0.926146 -2.775994
C 2.241100 -1.523388 -3.246096
C -2.950472 -2.828103 1.175965
C -0.508933 -4.038549 -1.365503
C -3.669851 1.283107 -0.843572
C -1.802543 4.230759 1.341542
H -0.188674 0.244638 -0.950323
H 0.259038 -1.391610 1.571149
H -1.299725 -0.565377 1.510579
H 0.020500 1.688241 1.804047
H 0.234278 2.459819 0.214906
H 3.338932 -0.721811 -0.735042
H 1.866561 -1.735781 -0.644551
H 2.713429 -0.762829 1.674213
H 1.616423 0.511045 2.230355
H 0.794652 -0.147222 -2.400240
H -2.913940 -1.088964 -0.144869
H -2.750625 -2.658514 -0.984125
H 0.910235 -2.870255 -0.214037
H -0.297552 -3.754453 0.781291
H -1.586624 1.393427 -1.427587
H -2.313020 2.978809 -1.049975
H -3.409491 2.777428 1.536414
H -2.036246 2.493977 2.632135
H 4.241448 1.017192 0.642618
H 3.116246 2.291099 1.251269
H 3.725245 0.775684 -2.800313
H 2.328021 1.245832 -3.773845
H 2.441467 1.750311 -2.078446
H 3.300959 -1.790851 -3.189413
H 2.021286 -1.287710 -4.293002
H 1.656007 -2.411576 -2.981792
H -2.554455 -3.846663 1.246229
H -2.668365 -2.301386 2.094257
H -4.042921 -2.900349 1.165091
H -1.495906 -4.504997 -1.272167
H -0.517692 -3.441784 -2.287628
H 0.227189 -4.839010 -1.489955
H -3.634183 0.227422 -0.510663
H -4.407831 1.793129 -0.216507
H -4.028468 1.300728 -1.876451
H -0.722386 4.321615 1.497046
H -2.014159 4.555317 0.316188
H -2.290754 4.941290 2.016798
H 4.783462 1.772941 2.822237


%chk=000235053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235053

0 1
O 4.474664 0.924487 2.034848
N 1.541852 0.192249 -0.167329
N -0.451355 -2.318818 0.341839
N -1.839738 1.730867 0.631358
C 0.082196 0.177103 0.123507
C -0.418543 -0.992316 1.019824
C -0.371236 1.534468 0.740154
C 1.959051 -0.677257 -1.301293
C 2.439873 0.140611 1.006094
C 1.711341 -0.040860 -2.696236
C -1.522900 -2.444681 -0.681686
C -0.398012 -3.438933 1.320089
C -2.245804 2.301709 -0.677453
C -2.466355 2.362321 1.819367
C 3.653560 1.063346 0.817312
C 2.554152 1.238063 -2.893995
C 1.989167 -1.081203 -3.806277
C -2.990582 -2.366676 -0.174414
C -0.196098 -4.819814 0.668745
C -3.744106 2.122874 -0.986560
C -2.098713 3.848440 2.087526
H -0.421964 0.102623 -0.858587
H 0.262425 -1.085052 1.887911
H -1.417125 -0.699775 1.423777
H -0.096579 1.565714 1.813406
H 0.209061 2.340040 0.233960
H 3.046755 -0.868875 -1.204014
H 1.449152 -1.663926 -1.242285
H 2.808408 -0.887295 1.229011
H 1.900788 0.487239 1.905764
H 0.638793 0.244807 -2.754771
H -1.366861 -1.651570 -1.437512
H -1.371147 -3.401475 -1.213852
H 0.463930 -3.236640 1.985214
H -1.302160 -3.472132 1.980983
H -1.660631 1.778485 -1.457280
H -1.973492 3.384007 -0.765314
H -3.564558 2.271993 1.723356
H -2.183469 1.755046 2.700915
H 4.230788 0.766772 -0.084387
H 3.301421 2.107144 0.681316
H 3.634355 0.991282 -2.926915
H 2.296911 1.749139 -3.840773
H 2.383859 1.938311 -2.056548
H 3.045735 -1.412652 -3.776868
H 1.799770 -0.655518 -4.809128
H 1.351365 -1.977657 -3.687145
H -3.204786 -3.148479 0.577399
H -3.209843 -1.381693 0.275419
H -3.686952 -2.515107 -1.021018
H -1.084014 -5.154346 0.102625
H 0.666741 -4.794294 -0.021072
H 0.002712 -5.577778 1.448652
H -4.027381 1.058639 -0.897173
H -4.384251 2.708326 -0.302131
H -3.963886 2.460901 -2.016100
H -1.007889 3.974196 2.216384
H -2.423306 4.506000 1.260408
H -2.592641 4.202434 3.011791
H 5.284450 1.486988 1.951062


