%chk=000197073.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197073

0 1
O 2.273522 -1.573286 -0.125123
O 0.219406 -3.516858 -1.395510
O 5.021924 -0.264752 0.711490
N -1.240141 1.811617 -1.839626
C -0.987738 0.257618 0.078048
C 0.352817 -0.186276 -0.535814
C -1.098665 1.766644 -0.351070
C -2.044808 -0.734913 -0.498245
C 0.786900 -1.580441 -0.012216
C 0.328233 -0.100519 -2.082889
C -1.019042 0.162536 1.619596
C 1.495623 0.628427 -0.035270
C 0.091044 2.640995 0.205755
C -1.576888 -2.226742 -0.436367
C -0.015843 1.320821 -2.552156
C 1.438236 1.971015 0.280318
C -0.110889 -2.571739 -0.729768
C -3.385118 -0.628275 0.195736
C -2.394435 0.524307 2.187233
C 2.608158 -0.218611 0.119534
C -3.539699 -0.064504 1.409008
C -1.626233 3.168338 -2.325539
C 2.658516 2.538358 0.706969
C 3.809342 0.358595 0.534742
C -4.547039 -1.184682 -0.570198
C 3.808964 1.752641 0.809208
C -4.877010 0.045748 2.075854
C 5.024072 -1.700081 0.481179
H -2.046656 2.181964 0.076162
H -2.198685 -0.466372 -1.579302
H 0.622224 -1.703378 1.089717
H -0.399710 -0.817015 -2.509856
H 1.317616 -0.400301 -2.483923
H -0.242061 0.808352 2.070811
H -0.755484 -0.869702 1.931019
H -0.183448 2.987152 1.222974
H 0.167699 3.560788 -0.408344
H -2.210847 -2.810796 -1.136036
H -1.815816 -2.633798 0.569231
H 0.862366 1.988628 -2.410402
H -0.239927 1.307034 -3.641088
H -2.516108 1.627956 2.216652
H -2.449034 0.191350 3.244691
H -1.825657 3.115162 -3.408477
H -0.875920 3.954741 -2.151325
H -2.568443 3.471144 -1.841103
H 2.708749 3.593689 0.963969
H -5.269670 -0.392959 -0.815594
H -5.082021 -1.948684 0.009771
H -4.251426 -1.646687 -1.519947
H 4.751113 2.198741 1.129798
H -4.844475 0.622988 3.007156
H -5.275623 -0.947977 2.324656
H -5.611938 0.534704 1.420826
H 4.380105 -2.195484 1.214610
H 6.079005 -1.954725 0.625437
H 4.687764 -1.921397 -0.538263


%chk=000197073-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197073

0 1
O 2.316632 -1.591435 -0.205530
O 0.251071 -3.510812 -1.551135
O 5.112750 -0.265794 0.654743
N -1.193594 1.815507 -1.812952
C -0.996128 0.221878 0.113514
C 0.362169 -0.208654 -0.479117
C -1.116467 1.733881 -0.328937
C -2.066822 -0.749680 -0.476388
C 0.816781 -1.617566 -0.037084
C 0.366574 -0.094744 -2.043480
C -1.072041 0.122639 1.662822
C 1.500619 0.601152 0.049152
C 0.046712 2.618096 0.313400
C -1.569508 -2.266189 -0.414283
C 0.030332 1.336137 -2.497500
C 1.427170 1.953128 0.375826
C -0.086002 -2.590164 -0.771400
C -3.442884 -0.623402 0.183594
C -2.452227 0.573880 2.183954
C 2.639775 -0.217582 0.130588
C -3.619630 -0.000559 1.389191
C -1.674130 3.107463 -2.330483
C 2.656374 2.534241 0.799183
C 3.867320 0.357691 0.527936
C -4.605179 -1.191649 -0.627662
C 3.832789 1.750992 0.852149
C -4.977043 0.195336 2.041532
C 5.205303 -1.697240 0.309368
H -2.074310 2.143704 0.042055
H -2.201937 -0.485973 -1.542748
H 0.645350 -1.742655 1.051389
H -0.359857 -0.796024 -2.490508
H 1.365048 -0.383358 -2.419507
H -0.265188 0.703897 2.143494
H -0.926464 -0.929263 1.976962
H -0.261026 2.905580 1.340120
H 0.099611 3.570042 -0.252593
H -2.199107 -2.896178 -1.066721
H -1.725228 -2.625721 0.624562
H 0.902778 2.010711 -2.316377
H -0.157651 1.342894 -3.588113
H -2.526842 1.683223 2.189470
H -2.555936 0.275854 3.248146
H -1.883751 3.013987 -3.412066
H -0.951488 3.952413 -2.203751
H -2.615299 3.385923 -1.822916
H 2.708646 3.589508 1.091652
H -5.192077 -0.384837 -1.109862
H -5.304933 -1.785132 -0.012422
H -4.239818 -1.846923 -1.437907
H 4.779982 2.197372 1.173043
H -5.103520 1.247286 2.367052
H -5.072682 -0.426890 2.954878
H -5.818074 -0.052703 1.374651
H 4.594599 -2.310660 0.994007
H 6.271675 -1.944330 0.419988
H 4.873686 -1.877196 -0.728280


