%chk=000284549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284549

0 1
O 4.592431 1.960194 0.289796
N -3.688068 0.204483 -0.137303
N 5.166688 -0.220169 0.043021
N -5.484125 -1.501598 -0.500417
N -5.995398 0.726855 0.377327
N -4.325748 2.283263 0.934902
N -7.677973 -0.936750 0.166391
C -4.043043 -1.242823 -0.571198
C -2.292351 0.568378 -0.013249
C 1.861895 1.640078 0.303423
C 2.754112 0.409992 0.091041
C -3.587104 -1.407878 -2.028468
C -3.318693 -2.218919 0.368425
C 0.409658 1.272017 0.194153
C 6.613557 0.124412 0.118881
C 4.820131 -1.655793 -0.081153
C 4.218552 0.803195 0.153747
C -4.690626 1.043380 0.376897
C -1.598975 1.011766 -1.150751
C -1.643561 0.487294 1.231276
C -0.250715 1.355631 -1.041239
C -0.297652 0.838182 1.327457
C 7.243820 0.174440 -1.283654
C 4.490756 -2.276647 1.289337
C -6.326849 -0.601644 -0.022096
C 8.734643 0.484558 -1.199063
C 4.143524 -3.754447 1.153375
H 2.135484 2.430768 -0.429816
H 2.086953 2.101405 1.289423
H 2.527354 -0.058196 -0.889110
H 2.526783 -0.361435 0.857561
H -2.498872 -1.385561 -2.128649
H -4.013362 -0.633569 -2.676311
H -3.942958 -2.373438 -2.417564
H -3.598132 -2.055440 1.415846
H -2.230938 -2.148853 0.287065
H -3.612506 -3.250913 0.127305
H 7.134692 -0.614830 0.762552
H 6.717434 1.121606 0.614695
H 5.673944 -2.197559 -0.548111
H 3.964693 -1.780218 -0.781188
H -2.110009 1.084433 -2.110620
H -2.194035 0.157145 2.112933
H 0.290448 1.695729 -1.924051
H 0.206876 0.776778 2.291571
H 6.729482 0.947304 -1.891157
H 7.083626 -0.782513 -1.815206
H 3.650170 -1.729532 1.762478
H 5.350156 -2.147883 1.977097
H 8.918954 1.452042 -0.715366
H 9.183779 0.533146 -2.198199
H 9.280585 -0.277296 -0.631644
H 3.270131 -3.913338 0.510157
H 3.909585 -4.195192 2.130644
H 4.973862 -4.332274 0.730307
H -3.493689 2.739779 0.586730
H -5.095216 2.918563 1.131195
H -8.020663 -1.733727 -0.353309
H -8.328396 -0.166382 0.243187


%chk=000284549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284549

0 1
O 4.640914 1.974002 0.304621
N -3.745498 0.169847 -0.039922
N 5.201169 -0.256906 -0.015606
N -5.494101 -1.351229 -0.930740
N -6.051563 0.865555 -0.029528
N -4.393683 2.339110 0.684536
N -7.632546 -0.418158 -1.164409
C -4.182780 -1.296772 -0.268921
C -2.354525 0.524207 0.107438
C 1.881181 1.578349 0.505282
C 2.780683 0.383076 0.099202
C -3.155688 -1.996834 -1.179798
C -4.264706 -2.003631 1.114154
C 0.405607 1.236767 0.376744
C 6.641626 0.097823 0.005488
C 4.854168 -1.679857 -0.219173
C 4.271591 0.764821 0.141060
C -4.752003 1.095562 0.203388
C -1.622915 1.008261 -1.007692
C -1.700695 0.412986 1.362408
C -0.263281 1.356863 -0.870984
C -0.338330 0.764080 1.488484
C 7.186555 0.470999 -1.393169
C 4.844146 -2.509740 1.089268
C -6.330445 -0.346468 -0.697591
C 8.693765 0.800175 -1.349922
C 4.544368 -4.000226 0.822813
H 2.148141 2.442264 -0.128281
H 2.127163 1.869743 1.542081
H 2.513930 0.056814 -0.926987
H 2.578060 -0.481152 0.760627
H -2.153752 -2.045043 -0.718935
H -3.089538 -1.477558 -2.150693
H -3.517657 -3.021384 -1.365792
H -4.972380 -1.469804 1.773484
H -3.273950 -2.052569 1.602378
H -4.637476 -3.032493 0.969289
H 7.205369 -0.761366 0.418500
H 6.769705 0.957764 0.685978
H 5.594421 -2.115627 -0.919103
H 3.871712 -1.760367 -0.716775
H -2.135217 1.107962 -1.970470
H -2.265607 0.058884 2.231643
H 0.287247 1.737670 -1.740286
H 0.153023 0.679563 2.465779
H 6.617371 1.343153 -1.763953
H 7.002681 -0.363957 -2.099072
H 4.090152 -2.087674 1.781822
H 5.824899 -2.405103 1.592766
H 8.892949 1.650074 -0.670850
H 9.070774 1.074716 -2.351396
H 9.285380 -0.064233 -0.992132
H 3.558217 -4.130510 0.338594
H 4.535479 -4.578698 1.763573
H 5.306732 -4.449568 0.158678
H -3.436948 2.562347 0.944482
H -5.138653 3.024245 0.779004
H -7.936471 -1.252331 -1.657297
H -8.233669 0.393573 -1.062783


