%chk=000294424.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294424

0 1
O 1.904603 2.667871 -1.457555
O 0.024524 -2.500920 2.119647
O 1.223375 -0.869332 -2.642431
O 3.343631 -1.942176 0.268455
O 2.816655 1.443661 1.796074
O -1.957868 -3.865515 0.511495
N -4.175050 2.145921 -0.013500
C 1.059316 -0.255080 0.188188
C 2.104113 0.372427 -0.774796
C 0.956490 -1.794213 0.027880
C -0.297078 0.403221 0.084139
C 2.140234 1.876203 -0.571483
C -0.159345 -2.299803 0.942007
C 1.996442 -0.022355 -2.244989
C 2.272695 -2.513932 0.305143
C -1.066736 0.371730 -1.087329
C -0.813543 1.068036 1.208397
C 2.519428 2.425070 0.804217
C -1.514954 -2.526261 0.274839
C -2.316071 0.981312 -1.142047
C -2.060162 1.683781 1.171005
C 2.955483 0.649259 -3.177120
C 2.173288 -3.979525 0.581985
C -2.840829 1.648224 -0.009479
C -4.501912 3.185397 1.001600
C -4.757671 2.478330 -1.343220
C 4.131025 0.851676 1.706972
C -2.493760 -4.096670 1.833758
H 1.465102 -0.072714 1.231998
H 3.114093 -0.043716 -0.426048
H 0.697867 -2.015522 -1.053125
H -0.682875 -0.138180 -1.977506
H -0.230444 1.102430 2.132101
H 1.638045 2.941936 1.247794
H 3.342507 3.157631 0.707480
H -1.473067 -2.484508 -0.831984
H -2.248446 -1.775931 0.630433
H -2.885450 0.934733 -2.068017
H -2.431664 2.182310 2.063292
H 2.676645 1.712570 -3.315853
H 2.936982 0.183160 -4.173529
H 3.990595 0.632899 -2.819918
H 3.154623 -4.471744 0.514062
H 1.486940 -4.503629 -0.096503
H 1.798611 -4.154663 1.607580
H -5.582276 3.402557 0.969713
H -4.284191 2.797054 2.012360
H -3.951520 4.129090 0.862541
H -4.722403 1.587687 -1.995710
H -5.820820 2.743359 -1.222889
H -4.245782 3.307652 -1.856378
H 4.909695 1.613825 1.652877
H 4.194792 0.290008 2.648738
H 4.169924 0.156122 0.852280
H -3.408362 -3.515721 1.976525
H -2.707218 -5.171367 1.812413
H -1.745722 -3.856962 2.599922


%chk=000294424-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294424

0 1
O 2.186668 2.462961 -1.838016
O -0.133058 -2.250498 2.410852
O 1.160544 -0.954010 -2.676314
O 3.131802 -2.118367 0.619859
O 2.951037 1.738609 1.646968
O -1.760482 -3.844008 0.171151
N -4.102905 2.626163 -0.049964
C 0.969498 -0.226595 0.229187
C 2.114001 0.247348 -0.748338
C 0.734195 -1.778588 0.162603
C -0.353987 0.539757 0.109332
C 2.214781 1.785095 -0.777183
C -0.377373 -2.131352 1.179004
C 2.139600 -0.336143 -2.173428
C 1.991377 -2.627697 0.438824
C -1.058526 0.700356 -1.113647
C -0.941893 1.099618 1.274125
C 2.338143 2.516357 0.575960
C -1.773343 -2.434480 0.621121
C -2.286424 1.385012 -1.171634
C -2.171110 1.785444 1.236829
C 3.429822 -0.152096 -2.952630
C 1.789669 -4.133338 0.491088
C -2.880582 1.947501 0.004132
C -4.675090 3.204071 1.171161
C -4.791665 2.799517 -1.334544
C 4.414739 1.681201 1.555815
C -1.917106 -4.800297 1.277710
H 1.378027 -0.028396 1.238209
H 3.043131 -0.117583 -0.258395
H 0.369037 -2.048949 -0.847139
H -0.643358 0.275977 -2.033442
H -0.426594 0.991776 2.237581
H 1.313147 2.746391 0.922334
H 2.870855 3.473431 0.395218
H -1.998270 -1.838065 -0.275487
H -2.538767 -2.271819 1.405424
H -2.781923 1.485764 -2.141486
H -2.572905 2.196195 2.167374
H 3.542475 0.919278 -3.204070
H 3.394992 -0.740541 -3.882377
H 4.307571 -0.449548 -2.349993
H 2.715489 -4.650573 0.192721
H 0.938116 -4.454567 -0.133063
H 1.564327 -4.415840 1.538378
H -5.637767 3.683907 0.933999
H -4.863735 2.430465 1.943525
H -4.011654 3.973984 1.617303
H -5.052504 1.825770 -1.797373
H -5.727434 3.358415 -1.175799
H -4.175194 3.366750 -2.062054
H 4.855568 2.697036 1.624832
H 4.744306 1.071296 2.410115
H 4.756405 1.201917 0.614970
H -2.880343 -4.636509 1.801674
H -1.909820 -5.796859 0.809143
H -1.093005 -4.723938 2.014358


