%chk=000215569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215569

0 1
O -0.008138 0.830289 -1.167135
O -3.088857 -0.296589 -1.266214
O -6.018552 -2.499903 0.874540
N -5.100063 -1.596090 0.710306
C 1.304262 0.287525 -0.832656
C 1.239255 -0.779428 0.241947
C 2.142552 1.530109 -0.589096
C 2.305911 -1.711683 0.283992
C 2.486496 2.286072 -1.742181
C 0.181018 -0.914554 1.161506
C 2.599671 1.976963 0.665599
C -5.274868 -0.987892 -0.696774
C -0.851659 -0.070090 -1.927337
C -4.417067 0.227419 -1.020524
C -2.207712 0.633577 -1.947514
C 2.281692 -2.777293 1.192186
C 3.291304 3.426746 -1.639073
C 0.168934 -1.999444 2.060711
C 3.412751 3.127060 0.747663
C -5.246693 -0.507094 1.770533
C -3.711888 -2.207613 0.826748
C 3.488996 -1.573956 -0.622842
C 1.996952 1.899140 -3.104252
C -0.954471 0.051661 1.255855
C 2.281646 1.307681 1.961993
C 1.206609 -2.926216 2.071374
C 3.758324 3.844578 -0.391481
H 1.681177 -0.215913 -1.767340
H -6.356843 -0.752030 -0.814927
H -5.071203 -1.804396 -1.430134
H -0.915915 -1.055616 -1.424632
H -0.419592 -0.191559 -2.934306
H -4.793631 0.734010 -1.928770
H -4.349188 0.959544 -0.196431
H -2.165834 1.591760 -1.394098
H -2.590472 0.797560 -2.968004
H 3.099931 -3.493259 1.214775
H 3.551301 3.993575 -2.529662
H -0.659465 -2.109619 2.756975
H 3.770443 3.459623 1.720212
H -5.281207 -0.983439 2.765429
H -4.429393 0.220330 1.746664
H -6.212386 0.006015 1.649261
H -3.634001 -3.072389 0.147424
H -2.914090 -1.483156 0.564726
H -3.550576 -2.594199 1.842700
H 3.944664 -0.574191 -0.537379
H 4.280325 -2.301125 -0.397914
H 3.212024 -1.721288 -1.675993
H 2.305554 2.608026 -3.882621
H 2.366441 0.909790 -3.404363
H 0.894426 1.864852 -3.115787
H -1.257970 0.238320 2.291368
H -0.714015 1.026183 0.793210
H -1.839918 -0.331318 0.704815
H 2.702520 1.835819 2.827475
H 1.195945 1.249097 2.126271
H 2.674082 0.280135 2.000335
H 1.185704 -3.763650 2.767847
H 4.386658 4.730734 -0.313000


%chk=000215569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215569

0 1
O -0.079972 0.571456 -1.113330
O -2.983588 -0.621709 -1.331572
O -6.497219 -1.537179 1.296035
N -5.235348 -1.060668 0.801696
C 1.332086 0.275308 -0.721431
C 1.391096 -0.890104 0.271755
C 2.006168 1.626620 -0.407703
C 2.457650 -1.834083 0.134886
C 2.118879 2.528374 -1.524460
C 0.394479 -1.082125 1.279916
C 2.555581 2.016431 0.858723
C -5.361014 -0.947718 -0.730729
C -0.635637 -0.469066 -1.989393
C -4.345342 -0.095084 -1.494984
C -2.064329 -0.081944 -2.349312
C 2.511710 -2.958822 0.994485
C 2.721072 3.796917 -1.354954
C 0.478136 -2.225370 2.114512
C 3.154803 3.300682 0.978951
C -4.939883 0.293289 1.428921
C -4.152127 -2.063238 1.180934
C 3.561499 -1.653114 -0.899305
C 1.614769 2.173120 -2.915396
C -0.741999 -0.100211 1.527009
C 2.576299 1.160029 2.119874
C 1.521165 -3.163955 1.976619
C 3.232156 4.193880 -0.104060
H 1.824525 -0.088444 -1.651641
H -6.373672 -0.531643 -0.866129
H -5.366853 -1.987282 -1.096277
H -0.631308 -1.460453 -1.490927
H -0.019953 -0.539989 -2.914921
H -4.642290 -0.128545 -2.567856
H -4.374625 0.967912 -1.173021
H -2.141563 1.025099 -2.400966
H -2.341306 -0.506578 -3.338852
H 3.336305 -3.673800 0.888479
H 2.792025 4.471974 -2.215892
H -0.283167 -2.368619 2.890905
H 3.568909 3.593522 1.950896
H -5.025686 0.147112 2.515278
H -3.937326 0.670351 1.157769
H -5.730447 0.984875 1.100939
H -4.502350 -3.041083 0.820335
H -3.181551 -1.797786 0.732940
H -4.110322 -2.081922 2.280243
H 4.035347 -0.655990 -0.835184
H 4.351878 -2.409286 -0.755555
H 3.184053 -1.767931 -1.934955
H 1.895090 2.955825 -3.640299
H 2.037471 1.216070 -3.281743
H 0.516757 2.063311 -2.918699
H -1.161981 -0.255403 2.538022
H -0.416522 0.949300 1.434284
H -1.550154 -0.226499 0.785160
H 3.149331 1.678366 2.908134
H 1.565582 0.972823 2.518797
H 3.040922 0.173261 1.959744
H 1.567272 -4.039475 2.633927
H 3.696419 5.178412 0.021382


