%chk=000217854.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217854

0 1
O -2.893174 0.533205 -0.447188
O 4.934323 -3.103500 0.708411
O 6.797399 -1.213338 -0.344972
O -0.027627 4.306058 0.164859
O -2.779312 0.050978 1.764677
O -2.050906 3.488312 0.630533
N 1.173338 1.746442 0.205215
N -6.181440 -1.209285 -0.547482
C 2.236069 2.755648 0.011538
C 1.439108 0.379348 0.267223
C 3.389501 2.165375 -0.814668
C 2.808242 -0.100574 0.128224
C 3.783862 0.779773 -0.379955
C -0.200473 1.959198 0.372740
C 0.216892 -0.296043 0.467104
C -0.794880 0.683158 0.531819
C 3.159084 -1.408814 0.506690
C 5.107605 0.347326 -0.516538
C 4.475545 -1.840880 0.372294
C 5.465607 -0.955534 -0.146033
C -2.228435 0.396214 0.746149
C -0.888808 3.241690 0.411558
C -4.702627 -1.104362 -0.351712
C -4.347690 0.386080 -0.443060
C -6.912936 -1.080900 0.756536
C -6.563717 -2.428326 -1.316505
C -8.373912 -0.706826 0.502802
C -6.221278 -3.773627 -0.669869
C 3.974207 -4.033015 1.268159
C 7.304356 -2.528091 0.002553
H 1.814816 3.659937 -0.496204
H 2.596197 3.088360 1.015083
H 3.104240 2.123634 -1.891407
H 4.254726 2.859383 -0.763976
H 0.082352 -1.356816 0.548578
H 2.390882 -2.068573 0.905965
H 5.881066 1.006769 -0.910599
H -4.345814 -1.520476 0.616595
H -4.158212 -1.658321 -1.146241
H -4.614798 0.833799 -1.417458
H -4.765915 0.982284 0.384926
H -6.855519 -2.003755 1.373589
H -6.426789 -0.274058 1.351022
H -7.660146 -2.369302 -1.502355
H -6.078141 -2.353843 -2.315530
H -8.447193 0.136624 -0.197133
H -8.941155 -1.537058 0.068771
H -8.868762 -0.412568 1.434087
H -5.144167 -3.888823 -0.509987
H -6.709515 -3.889247 0.304718
H -6.549822 -4.606586 -1.300372
H -0.508353 5.177575 0.191630
H 3.570585 -3.645989 2.208451
H 3.185835 -4.250302 0.541718
H 4.600820 -4.916978 1.443965
H 8.364084 -2.434914 -0.261046
H 6.802082 -3.294498 -0.597416
H 7.166292 -2.712346 1.073227


%chk=000217854-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217854

0 1
O -3.046750 0.770737 -0.056118
O 5.141566 -3.073694 1.174681
O 6.962183 -1.408891 -0.283501
O -0.321668 3.808547 -1.206115
O -2.476520 -0.745946 1.627248
O -1.927656 3.380607 0.414982
N 1.165234 1.509967 -0.221621
N -6.406566 -0.966761 -0.243592
C 2.222712 2.499499 -0.552415
C 1.510742 0.210250 0.172238
C 3.342790 1.798838 -1.346645
C 2.902977 -0.233854 0.097776
C 3.839918 0.549489 -0.634715
C -0.210968 1.713803 -0.023017
C 0.335518 -0.432717 0.606658
C -0.740571 0.491703 0.482064
C 3.328522 -1.434791 0.722978
C 5.180723 0.124687 -0.702136
C 4.666905 -1.867986 0.628787
C 5.619308 -1.064376 -0.079210
C -2.141426 0.113665 0.769709
C -0.912361 2.988813 -0.206003
C -4.995704 -0.687168 -0.597797
C -4.493063 0.524269 0.213265
C -6.541865 -1.840342 0.951365
C -7.274767 -1.315262 -1.394533
C -7.929269 -1.751504 1.613743
C -6.991554 -2.680764 -2.080790
C 4.168706 -3.944530 1.841230
C 7.762187 -1.882472 0.866382
H 1.767266 3.313510 -1.131509
H 2.625173 2.912326 0.394250
H 2.952188 1.527486 -2.348772
H 4.168382 2.515287 -1.504985
H 0.232025 -1.463339 0.938545
H 2.599091 -2.026854 1.282447
H 5.929950 0.707582 -1.248165
H -4.323174 -1.554664 -0.408550
H -4.927323 -0.449313 -1.675091
H -4.995644 1.451006 -0.100604
H -4.633397 0.359708 1.295350
H -6.308584 -2.908497 0.714199
H -5.776988 -1.518769 1.682145
H -8.326584 -1.289610 -1.053997
H -7.173528 -0.505240 -2.142219
H -8.171479 -0.700242 1.849834
H -8.728232 -2.152023 0.963651
H -7.940823 -2.335873 2.552297
H -5.951815 -2.733724 -2.453427
H -7.149978 -3.526837 -1.387623
H -7.668957 -2.821260 -2.943879
H -0.852657 4.649097 -1.253445
H 3.732099 -3.454621 2.732948
H 3.361041 -4.244607 1.146414
H 4.742194 -4.831063 2.149094
H 8.783914 -1.983535 0.469995
H 7.387464 -2.847974 1.239721
H 7.746695 -1.132171 1.680178


