%chk=000206712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206712

0 1
O -3.001011 -0.877833 1.810765
O -0.858797 4.551479 -1.387092
N 1.415014 -1.414813 -0.784195
N -1.889696 -0.004336 0.034678
C -0.861433 -1.082596 0.115633
C -0.940523 -2.085150 -1.061863
C 0.589935 -0.522613 0.091892
C 0.438022 -2.027139 -1.747676
C 2.144838 -2.466021 0.001118
C -1.768428 1.007290 -0.994127
C -2.974568 -0.017487 0.949448
C 3.187244 -1.831967 0.891537
C -4.023916 1.059006 0.766686
C -1.351131 2.299798 -0.627592
C -2.080403 0.701749 -2.325925
C 4.091806 -0.895316 0.367972
C 3.271278 -2.198613 2.242550
C -5.220021 0.810910 1.676587
C -1.256064 3.263703 -1.637768
C -1.971423 1.695074 -3.308994
C 5.072151 -0.334536 1.189254
C 4.257086 -1.636620 3.059454
C -1.565006 2.984870 -2.982455
C 5.158524 -0.705342 2.535739
H -1.043404 -1.625941 1.084267
H -1.753951 -1.839030 -1.766239
H -1.164077 -3.097624 -0.686593
H 0.640289 0.493134 -0.357445
H 1.007882 -0.431295 1.111778
H 0.770753 -3.016149 -2.107872
H 0.408929 -1.353148 -2.632167
H 2.663232 -3.131059 -0.730097
H 1.462580 -3.117598 0.589758
H -4.353341 1.103645 -0.293618
H -3.578173 2.053599 0.982206
H -1.095347 2.527740 0.401728
H -2.394955 -0.306052 -2.595132
H 4.013251 -0.602628 -0.680038
H 2.572360 -2.919836 2.660686
H -5.953061 1.620931 1.602521
H -4.910753 0.724410 2.728425
H -5.727101 -0.130652 1.426620
H -2.211867 1.451285 -4.345503
H 5.771216 0.392470 0.779845
H 4.320582 -1.925563 4.106966
H -1.475292 3.769925 -3.729649
H 5.924635 -0.269667 3.172923
H -0.623665 4.695604 -0.436296


%chk=000206712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206712

0 1
O -2.576934 -1.105478 1.679125
O -0.779968 4.518418 -1.981142
N 1.671280 -1.368052 -0.809677
N -1.795881 0.003162 -0.220579
C -0.664064 -0.955699 -0.339083
C -0.615511 -1.786179 -1.661692
C 0.767397 -0.326506 -0.252810
C 0.917194 -1.905971 -1.986583
C 2.074154 -2.402282 0.184497
C -1.962979 1.040195 -1.216817
C -2.712026 -0.165934 0.836319
C 3.071144 -1.865585 1.208275
C -3.870141 0.838159 0.913837
C -1.269187 2.268106 -1.079521
C -2.821667 0.833391 -2.323328
C 4.117412 -0.995898 0.807133
C 2.991618 -2.259615 2.566544
C -4.669843 0.700129 2.221720
C -1.434872 3.278552 -2.056056
C -2.979589 1.856194 -3.287828
C 5.070644 -0.540300 1.743734
C 3.946625 -1.806668 3.506841
C -2.290354 3.079350 -3.164954
C 4.991035 -0.946568 3.097712
H -0.804116 -1.634407 0.520812
H -1.143539 -1.261923 -2.477099
H -1.096788 -2.769423 -1.524273
H 0.830990 0.576397 -0.889772
H 1.059025 -0.055875 0.775237
H 1.231013 -2.942362 -2.198985
H 1.160005 -1.290454 -2.873137
H 2.552576 -3.220486 -0.389528
H 1.208919 -2.857436 0.726262
H -4.534262 0.678242 0.041136
H -3.478449 1.866756 0.799152
H -0.625100 2.426349 -0.205490
H -3.360784 -0.114907 -2.415546
H 4.155338 -0.677337 -0.240375
H 2.177430 -2.919775 2.891653
H -5.519026 1.407217 2.228881
H -4.032947 0.905566 3.099240
H -5.058288 -0.325363 2.336834
H -3.645175 1.698456 -4.143117
H 5.876024 0.129768 1.420703
H 3.871259 -2.119088 4.554721
H -2.399895 3.880264 -3.901621
H 5.730954 -0.593064 3.824950
H -0.196449 4.567961 -1.183607


