%chk=000245864.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245864

0 1
O 0.582021 2.514052 -1.427132
N -1.802696 -0.215050 -0.534093
N 1.762086 1.135290 1.216278
C -3.315279 -0.264638 -0.537530
C -3.818383 -1.625017 -0.003569
C -3.837873 0.864130 0.384979
C -5.350871 -1.648180 0.073917
C -5.368801 0.850728 0.456377
C -5.888704 -0.507051 0.947117
C -1.309675 1.049659 -1.172405
C 0.164948 1.299114 -0.780722
C 0.368556 1.371409 0.745159
C -1.191588 -1.393436 -1.219598
C 2.681084 2.295772 1.017548
C 3.490214 2.214965 -0.282853
C 2.308094 -0.139307 0.822685
C 4.338495 0.940042 -0.281082
C 3.555781 -0.264141 0.164912
C 1.595277 -1.302040 1.184592
C 4.076414 -1.542494 -0.077254
C 2.129029 -2.562816 0.927151
C 3.373107 -2.687779 0.300264
H -3.721918 -0.113373 -1.570218
H -3.383184 -1.812454 0.997692
H -3.472482 -2.452243 -0.650099
H -3.484368 1.850331 0.025479
H -3.405907 0.737748 1.397293
H -5.686967 -2.621647 0.478110
H -5.780259 -1.575649 -0.943829
H -5.796433 1.079401 -0.538610
H -5.718459 1.654501 1.131172
H -6.994157 -0.514661 0.943059
H -5.583778 -0.665904 1.999566
H -1.387862 1.048241 -2.281360
H -1.932958 1.903796 -0.822432
H 0.842810 0.547217 -1.251418
H 0.023409 2.348674 1.140542
H -0.284084 0.601163 1.233825
H -0.091274 -1.300545 -1.196294
H -1.505234 -1.533215 -2.263834
H -1.430955 -2.308333 -0.654064
H 3.367046 2.298291 1.896605
H 2.104575 3.241695 1.059141
H 4.130599 3.106646 -0.397241
H 2.797549 2.222066 -1.153815
H 5.213386 1.068765 0.391224
H 4.757052 0.769536 -1.293700
H 0.157741 3.295438 -1.029601
H 0.627192 -1.210215 1.677375
H 5.040882 -1.644614 -0.572536
H 1.576078 -3.453175 1.220300
H 3.790622 -3.672091 0.106426


%chk=000245864-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245864

0 1
O 0.369887 2.419267 -2.366409
N -2.051899 -0.274396 -1.216402
N 1.712432 1.252539 0.234763
C -3.399124 -0.225749 -0.553021
C -3.991047 -1.635900 -0.303218
C -3.299775 0.527376 0.801423
C -5.359926 -1.556902 0.417268
C -4.665981 0.623366 1.519155
C -5.269365 -0.780465 1.749667
C -1.607317 1.044042 -1.744295
C -0.086559 1.267449 -1.552634
C 0.290605 1.440861 -0.060984
C -1.883654 -1.323376 -2.249280
C 2.563881 2.462978 0.220288
C 4.052028 2.122313 0.029943
C 2.227970 -0.021919 0.531210
C 4.480750 1.060437 1.065303
C 3.594571 -0.171489 0.952365
C 1.415096 -1.195144 0.431560
C 4.092453 -1.456151 1.249454
C 1.938732 -2.464109 0.755242
C 3.281755 -2.612529 1.167106
H -4.129033 0.324606 -1.206738
H -3.276574 -2.217734 0.314975
H -4.121773 -2.180215 -1.256611
H -2.887641 1.544168 0.656122
H -2.578543 -0.022823 1.439282
H -5.741950 -2.581095 0.592924
H -6.092646 -1.053601 -0.247601
H -5.366767 1.226762 0.905084
H -4.545534 1.155828 2.482262
H -6.270624 -0.700119 2.215374
H -4.626713 -1.342066 2.458457
H -1.836006 1.154540 -2.830560
H -2.154187 1.853418 -1.221581
H 0.479489 0.420088 -1.973785
H -0.004399 2.462990 0.260464
H -0.317129 0.731334 0.528111
H -0.869252 -1.244938 -2.677625
H -2.614411 -1.238056 -3.091380
H -1.973498 -2.328347 -1.807376
H 2.433714 3.031279 1.170166
H 2.222980 3.109465 -0.609410
H 4.647811 3.047603 0.139381
H 4.214014 1.734518 -0.993195
H 4.403017 1.500623 2.082046
H 5.540727 0.779483 0.923173
H -0.125147 3.225700 -2.066538
H 0.374893 -1.126561 0.095583
H 5.141770 -1.548161 1.559877
H 1.288257 -3.343444 0.673646
H 3.689536 -3.599144 1.410469


