%chk=000211940.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211940

0 1
O -3.044775 2.463120 -0.459206
O -7.600377 -1.846617 0.471673
N 0.830921 0.925685 0.128149
N 3.660979 0.383417 -0.147253
C 1.359201 0.129109 -1.028524
C 1.863395 1.922381 0.567609
C 2.636607 -0.618450 -0.597908
C 3.135848 1.173668 1.013403
C -0.455067 1.608167 -0.226814
C 4.945325 -0.252752 0.111577
C -1.608667 0.615304 -0.003463
C 5.865494 -0.325482 -0.963861
C 5.304879 -0.752038 1.374266
C -2.953911 1.282413 -0.178178
C 7.125974 -0.896836 -0.736839
C 5.523494 0.184551 -2.325484
C 6.568274 -1.310302 1.580345
C -4.171277 0.444960 -0.003095
C 7.479008 -1.384168 0.524208
C -4.127464 -0.900603 0.410384
C -5.416451 1.044982 -0.261577
C -5.294737 -1.635502 0.558586
C -6.606124 0.330674 -0.122551
C -6.532058 -1.008067 0.287648
C -8.930951 -1.322604 0.231435
H 1.577336 0.758154 -1.919634
H 0.585627 -0.609630 -1.326456
H 1.455112 2.491189 1.430345
H 2.119642 2.657558 -0.226303
H 2.392966 -1.358616 0.195419
H 3.051136 -1.180464 -1.461478
H 3.914768 1.906265 1.315140
H 2.903579 0.543950 1.900415
H -0.483928 1.997989 -1.267101
H -0.610218 2.493212 0.431490
H -1.515412 -0.245754 -0.694771
H -1.520944 0.183075 1.017708
H 4.597530 -0.709297 2.200706
H 7.842036 -0.957804 -1.555011
H 6.405369 0.539456 -2.872099
H 5.047687 -0.598341 -2.931196
H 4.811784 1.026050 -2.272731
H 6.839007 -1.689745 2.563416
H 8.463391 -1.820023 0.681099
H -3.170075 -1.380645 0.622447
H -5.441102 2.094996 -0.577289
H -5.282262 -2.675285 0.877649
H -7.555753 0.812359 -0.328348
H -9.144405 -0.499560 0.919487
H -9.557888 -2.196105 0.455555
H -9.036823 -1.021492 -0.814691


%chk=000211940-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211940

0 1
O -3.026654 2.566225 0.065093
O -7.736514 -1.860304 -0.074136
N 0.870563 0.898481 0.400416
N 3.692925 0.280374 0.110121
C 1.355186 0.015977 -0.689991
C 1.926620 1.877042 0.765827
C 2.646216 -0.703801 -0.267385
C 3.215508 1.157666 1.200601
C -0.413877 1.572025 0.084224
C 5.052489 -0.170030 0.146262
C -1.596986 0.589034 0.080884
C 5.706865 -0.578352 -1.064888
C 5.792364 -0.165558 1.363500
C -2.955396 1.298397 0.051822
C 7.055004 -1.004831 -0.993618
C 5.016917 -0.491130 -2.415254
C 7.139900 -0.580225 1.402905
C -4.196984 0.463267 0.015654
C 7.777092 -1.017799 0.221374
C -4.174235 -0.961612 0.035940
C -5.456854 1.116791 -0.035446
C -5.365047 -1.702382 0.005475
C -6.660614 0.390164 -0.067619
C -6.614420 -1.029722 -0.047036
C -9.060396 -1.228167 -0.124130
H 1.552743 0.598792 -1.626982
H 0.583477 -0.742401 -0.915480
H 1.556539 2.496019 1.604289
H 2.168932 2.559084 -0.088429
H 2.418530 -1.371924 0.596437
H 3.007383 -1.334856 -1.093732
H 3.993945 1.908341 1.424395
H 3.001320 0.582135 2.133068
H -0.374672 2.118225 -0.890715
H -0.601288 2.337230 0.858389
H -1.544547 -0.105727 -0.780838
H -1.532225 -0.042904 0.990049
H 5.303563 0.148193 2.291424
H 7.556414 -1.306120 -1.922314
H 5.755492 -0.313080 -3.216357
H 4.474291 -1.421283 -2.678246
H 4.281735 0.333859 -2.419910
H 7.683561 -0.571004 2.354698
H 8.822009 -1.346119 0.239402
H -3.221401 -1.498896 0.080575
H -5.463397 2.212038 -0.048125
H -5.361690 -2.796224 0.022581
H -7.614593 0.924118 -0.107184
H -9.236150 -0.597351 0.767999
H -9.774392 -2.064069 -0.135542
H -9.179547 -0.621103 -1.041747


