%chk=000210621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210621

0 1
O -3.075048 0.785491 1.926839
O -2.693768 2.142246 0.157999
O 6.394853 -2.931128 0.841824
N 2.052882 0.544469 0.406120
N 1.133374 0.608628 1.421929
N -5.652887 -1.020933 -0.051185
C 0.485683 2.024814 -0.243708
C 1.687508 1.395035 -0.629055
C -0.016711 2.936152 -1.300311
C 2.147325 1.789197 -1.985791
C 1.013464 2.756928 -2.460739
C 0.164238 1.511852 1.036975
C -0.989612 1.835193 1.911393
C 3.197101 -0.320584 0.501977
C -2.298264 1.644576 1.185476
C 3.127983 -1.481855 1.307236
C 4.368987 -0.004059 -0.199737
C -4.266522 -0.614383 0.333435
C -4.407151 0.451349 1.429442
C -5.757025 -2.482656 -0.327922
C -6.179409 -0.169297 -1.168901
C 4.224768 -2.323808 1.391735
C 5.477815 -0.852052 -0.125386
C 5.395883 -2.002399 0.667883
C -4.924145 -3.011963 -1.498592
C -7.705558 -0.254658 -1.217975
C 7.655357 -2.707125 0.164367
H -0.061144 3.984511 -0.956027
H -1.046816 2.668243 -1.610358
H 2.246535 0.921988 -2.662743
H 3.124974 2.302395 -1.966350
H 1.437949 3.729673 -2.751581
H 0.512999 2.344607 -3.351030
H -0.966213 1.210851 2.840566
H -0.920519 2.893975 2.256596
H 2.211600 -1.703769 1.863784
H 4.428986 0.903698 -0.800767
H -3.663197 -0.213916 -0.510637
H -3.693978 -1.478187 0.735443
H -4.904924 1.369090 1.075545
H -4.898423 0.066963 2.340892
H -6.833750 -2.708872 -0.499945
H -5.476399 -3.016179 0.608171
H -5.749087 -0.443665 -2.156529
H -5.877776 0.885268 -0.975713
H 4.205493 -3.225134 2.003228
H 6.380376 -0.603708 -0.674536
H -5.071373 -4.089476 -1.628808
H -3.852174 -2.845242 -1.347507
H -5.199386 -2.528350 -2.442803
H -8.118130 0.507668 -1.886761
H -8.140210 -0.098419 -0.221433
H -8.050706 -1.232601 -1.570562
H 8.238392 -3.580804 0.485939
H 8.116322 -1.779319 0.514879
H 7.510859 -2.710819 -0.919582


%chk=000210621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210621

0 1
O -3.288525 0.663996 1.843449
O -2.449518 1.426167 -0.195750
O 6.815911 -2.804027 0.632920
N 2.275509 0.568724 0.359777
N 1.230526 0.327061 1.274811
N -6.060674 -0.993276 -0.134516
C 0.688693 2.089054 -0.107884
C 1.949236 1.623041 -0.481188
C 0.260973 3.256125 -0.967893
C 2.555161 2.382803 -1.635041
C 1.302811 3.191492 -2.147878
C 0.273150 1.266805 0.982314
C -0.981896 1.291601 1.811919
C 3.443492 -0.254012 0.405421
C -2.271858 1.138547 1.009967
C 3.439686 -1.430561 1.200339
C 4.604592 0.090194 -0.323220
C -4.760692 -0.899747 0.567990
C -4.636483 0.493451 1.217641
C -6.789075 -2.268821 0.071942
C -5.998196 -0.504102 -1.536409
C 4.578316 -2.248238 1.250812
C 5.750733 -0.734382 -0.278396
C 5.739600 -1.909795 0.510003
C -6.164249 -3.530059 -0.586227
C -7.379327 -0.153292 -2.119802
C 8.036207 -2.494359 -0.113543
H 0.336689 4.216136 -0.418659
H -0.777205 3.160402 -1.327667
H 2.975222 1.739072 -2.429466
H 3.363773 3.063289 -1.297604
H 1.584675 4.193345 -2.516864
H 0.849208 2.639470 -2.990886
H -0.939595 0.498756 2.576728
H -1.065567 2.252245 2.361211
H 2.539731 -1.677420 1.767439
H 4.636252 1.004962 -0.920310
H -3.892106 -1.064370 -0.108986
H -4.708314 -1.670791 1.358042
H -4.788727 1.289703 0.468850
H -5.347052 0.608375 2.049630
H -7.823805 -2.139026 -0.295981
H -6.869485 -2.430677 1.164028
H -5.483715 -1.234926 -2.208825
H -5.368321 0.404998 -1.538594
H 4.591328 -3.158620 1.857499
H 6.635895 -0.443665 -0.851651
H -6.763710 -4.426212 -0.339231
H -5.133256 -3.701685 -0.225305
H -6.130173 -3.441507 -1.687315
H -7.264349 0.302740 -3.120341
H -7.900283 0.565205 -1.462473
H -8.022211 -1.045008 -2.233952
H 8.732601 -3.312995 0.120157
H 8.473811 -1.529501 0.210281
H 7.845987 -2.467186 -1.204615


