%chk=000207765.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207765

0 1
O -3.540147 0.100159 -2.329448
O 0.523092 2.078518 2.626058
O 2.290711 -2.527233 -0.238405
O 5.027416 1.454054 -0.410974
O 4.813994 -1.229381 -0.883596
N -3.605887 1.104599 -0.295318
N -0.702838 1.568696 0.768026
N -4.927164 -1.666597 0.692478
C -1.948216 2.193483 1.277940
C -2.222552 3.538570 0.574427
C -3.134619 1.207779 1.105794
C -2.716517 3.366032 -0.864584
C -3.921227 2.415236 -0.930650
C -3.313626 0.010626 -1.130589
C 0.465075 1.548469 1.529824
C -2.815824 -1.244983 -0.497879
C 1.611433 0.825617 0.870724
C -3.630221 -2.068871 0.312190
C -1.504960 -1.649330 -0.795318
C 2.770220 1.545891 0.555940
C 1.496166 -0.531070 0.600854
C -3.104128 -3.279516 0.827129
C -0.988112 -2.832409 -0.274638
C 2.567914 -1.203065 -0.030340
C 3.837568 0.872038 -0.047115
C -1.794714 -3.643650 0.537612
C 3.748471 -0.511258 -0.365704
C 3.313912 -3.366587 -0.838009
C 5.229363 2.848974 -0.064475
C 5.331815 -0.722999 -2.144961
H -1.805649 2.388228 2.380978
H -2.971644 4.101612 1.165179
H -1.303785 4.158045 0.588072
H -2.858607 0.202930 1.500666
H -3.989109 1.560249 1.728867
H -2.994348 4.348409 -1.291856
H -1.898789 2.981913 -1.505744
H -4.224295 2.242485 -1.991650
H -4.797662 2.850789 -0.403953
H -0.738806 1.165793 -0.163337
H -0.889365 -1.029083 -1.450430
H 2.833262 2.600356 0.810064
H 0.608490 -1.101169 0.878825
H -3.721723 -3.915681 1.455483
H 0.040475 -3.125224 -0.495227
H -1.388904 -4.571711 0.943044
H -5.563397 -2.396428 0.979708
H -5.378603 -0.960915 0.124398
H 3.489568 -3.053697 -1.870730
H 4.239579 -3.312696 -0.251951
H 2.850363 -4.357541 -0.780068
H 4.514061 3.479956 -0.598803
H 5.166239 2.984476 1.019986
H 6.253801 3.017388 -0.421016
H 4.540401 -0.686929 -2.895544
H 5.783562 0.265027 -1.990512
H 6.093688 -1.470176 -2.390541


%chk=000207765-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207765

0 1
O -3.431723 0.081574 -2.370935
O 0.708565 2.872833 1.714680
O 2.378596 -2.313936 -1.001024
O 5.322806 1.493545 -0.175033
O 4.961407 -1.120242 -1.132692
N -3.671333 1.036954 -0.255328
N -0.777532 1.417412 0.688459
N -4.938895 -1.500795 0.981947
C -1.962785 2.095970 1.251322
C -2.254430 3.461895 0.568510
C -3.194267 1.160172 1.145459
C -2.799453 3.287285 -0.866622
C -4.021738 2.339630 -0.881159
C -3.367135 -0.043598 -1.105428
C 0.504081 1.835975 0.998172
C -2.954071 -1.350291 -0.475438
C 1.641201 1.021385 0.438352
C -3.742433 -2.038646 0.504780
C -1.783058 -1.968587 -0.983426
C 2.911366 1.645085 0.397782
C 1.501993 -0.314828 0.000745
C -3.288158 -3.304049 0.981329
C -1.330773 -3.210244 -0.495555
C 2.615426 -1.012201 -0.520424
C 4.026902 0.954123 -0.114441
C -2.095302 -3.872033 0.497115
C 3.886600 -0.378519 -0.616654
C 3.223334 -3.398219 -0.450004
C 5.516294 2.837213 0.382352
C 5.698408 -0.528669 -2.273448
H -1.749518 2.285301 2.321333
H -3.004339 3.996388 1.188165
H -1.332525 4.067581 0.582220
H -2.958791 0.164204 1.549257
H -4.008080 1.594997 1.757405
H -3.090141 4.268419 -1.287123
H -2.015962 2.870037 -1.526858
H -4.355678 2.137510 -1.910766
H -4.857648 2.785676 -0.305049
H -0.917537 0.622301 0.061802
H -1.236827 -1.461650 -1.787504
H 2.983662 2.661515 0.794189
H 0.562463 -0.871328 0.075013
H -3.885123 -3.837234 1.731817
H -0.403984 -3.645186 -0.881140
H -1.766115 -4.841725 0.887843
H -5.529315 -2.041882 1.607092
H -5.303457 -0.633725 0.593579
H 4.289116 -3.203797 -0.650525
H 3.050047 -3.497458 0.639181
H 2.888665 -4.310457 -0.967332
H 4.922058 3.590419 -0.169311
H 5.246243 2.864887 1.454745
H 6.589597 3.044489 0.260795
H 5.010024 -0.356511 -3.122017
H 6.183935 0.413677 -1.973119
H 6.450540 -1.284442 -2.546182


