%chk=000201940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201940

0 1
O -5.445528 -0.279794 -0.394369
N 1.285527 1.352139 0.182699
N -2.649175 -0.579065 0.133596
C 1.056874 0.112867 1.016188
C 2.752910 1.686245 0.144288
C 0.514388 2.527603 0.713548
C -0.445572 -0.220040 1.180304
C 2.992732 2.881364 -0.792476
C 0.711808 3.742010 -0.210169
C 2.195139 4.108474 -0.335848
C -1.186333 -0.401912 -0.154407
C 1.760127 -1.080958 0.384094
C -3.331988 0.746778 0.298690
C -3.317278 -1.355544 -0.963087
C -4.810054 0.500319 0.639398
C -4.796304 -1.552669 -0.594775
C 2.322403 -2.055984 1.222486
C 1.832537 -1.244248 -1.007576
C 2.946804 -3.179637 0.673532
C 2.459659 -2.367292 -1.552117
C 3.017170 -3.338260 -0.713685
H 1.471055 0.261158 2.053659
H 3.305436 0.802369 -0.243166
H 3.164748 1.906280 1.152585
H 0.802735 2.792323 1.753504
H -0.564558 2.260929 0.731511
H -0.940283 0.562056 1.788232
H -0.542452 -1.151915 1.775799
H 2.693522 2.604735 -1.823364
H 4.072629 3.111726 -0.830956
H 0.131696 4.599387 0.175618
H 0.301293 3.509155 -1.213258
H 2.581709 4.476948 0.632846
H 2.324578 4.938379 -1.054518
H -0.969709 0.448132 -0.837643
H -0.799361 -1.313482 -0.661281
H -3.256415 1.387961 -0.606036
H -2.839158 1.291528 1.131380
H -2.817041 -2.344303 -1.044258
H -3.239312 -0.860674 -1.954766
H -5.402891 1.430922 0.632103
H -4.925278 -0.023657 1.604586
H -4.911615 -2.160702 0.319847
H -5.379789 -1.988065 -1.424036
H 2.272033 -1.944920 2.303629
H 1.405222 -0.480143 -1.660386
H 3.379033 -3.932966 1.329610
H 2.514160 -2.486450 -2.632690
H 3.503565 -4.212909 -1.139267


%chk=000201940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201940

0 1
O -5.545326 -0.370301 -0.336749
N 1.337001 1.396991 0.173479
N -2.675804 -0.592666 0.119151
C 1.074951 0.169315 0.987857
C 2.789166 1.739951 0.192919
C 0.528068 2.578155 0.578460
C -0.443234 -0.136875 1.177187
C 3.113354 2.903409 -0.763202
C 0.782176 3.778856 -0.357953
C 2.279721 4.152262 -0.403932
C -1.231321 -0.347436 -0.132626
C 1.773115 -1.057233 0.381982
C -3.422067 0.645237 0.462598
C -3.336781 -1.276479 -1.023391
C -4.886161 0.309117 0.790541
C -4.799140 -1.595323 -0.673679
C 2.243969 -2.088795 1.231387
C 1.900492 -1.220185 -1.021044
C 2.825636 -3.260549 0.695897
C 2.485962 -2.386746 -1.560327
C 2.948615 -3.414256 -0.704510
H 1.486730 0.308243 2.024412
H 3.365257 0.843988 -0.094124
H 3.108363 2.018330 1.233192
H 0.760220 2.879995 1.635213
H -0.543390 2.319043 0.538339
H -0.902641 0.664351 1.785138
H -0.525197 -1.061749 1.777282
H 2.884399 2.588536 -1.799996
H 4.196671 3.125925 -0.713150
H 0.173880 4.638443 -0.015447
H 0.437686 3.511143 -1.376053
H 2.596609 4.532303 0.589546
H 2.455528 4.966034 -1.132763
H -1.073737 0.518341 -0.822707
H -0.823946 -1.237100 -0.646149
H -3.394099 1.381385 -0.382365
H -2.959412 1.124437 1.345325
H -2.796549 -2.218535 -1.236029
H -3.314088 -0.648853 -1.950863
H -5.475364 1.224502 0.966909
H -4.922612 -0.339995 1.692196
H -4.830123 -2.299585 0.185774
H -5.329120 -2.035458 -1.534685
H 2.159452 -1.971566 2.319778
H 1.551925 -0.410225 -1.671935
H 3.187225 -4.047210 1.368123
H 2.581840 -2.495442 -2.647019
H 3.403499 -4.319531 -1.122389


