%chk=000180947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180947

0 1
O -1.948670 -2.496504 0.568597
O -4.335560 -1.221479 0.588065
O 2.837115 2.223442 -0.058199
O 2.993905 -2.529939 0.231796
O 4.260097 -0.528427 0.066435
N -1.355391 2.258321 0.172989
C -1.423051 -0.133539 0.163727
C -1.839854 1.120633 -0.692315
C -1.811422 0.297379 1.605174
C -2.105039 -1.415514 -0.353198
C -3.349666 1.242917 -0.938493
C -1.723534 1.844680 1.578406
C 0.104265 -0.211080 0.124076
C -3.619712 -1.261669 -0.654278
C -3.922490 -0.045144 -1.530382
C 0.132109 2.337912 0.014257
C 0.825929 0.993175 0.054353
C 0.759357 -1.460451 0.205923
C 2.249912 0.987019 0.022629
C 2.137086 -1.440793 0.174322
C 2.890437 -0.242890 0.077794
C 4.353294 -1.986335 0.168670
C 4.291735 2.236696 -0.072024
H -1.315016 1.122077 -1.676481
H -1.133698 -0.144004 2.354336
H -2.828447 -0.045650 1.868302
H -1.571813 -1.784993 -1.263365
H -3.535384 2.098560 -1.619126
H -3.885417 1.505681 -0.005362
H -2.698409 2.313975 1.815599
H -0.995470 2.228667 2.315867
H -4.011403 -2.205528 -1.105852
H -5.020947 0.053902 -1.650513
H -3.523965 -0.212430 -2.550354
H 0.553866 3.009181 0.796446
H 0.343092 2.842433 -0.958052
H 0.201040 -2.394280 0.314972
H -2.625417 -2.429898 1.289090
H -4.188555 -0.353460 1.042594
H 4.854737 -2.228148 1.114707
H 4.821086 -2.360285 -0.751181
H 4.662455 1.684149 -0.942116
H 4.677660 1.803161 0.856598
H 4.509153 3.307583 -0.145034


%chk=000180947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180947

0 1
O -2.015992 -2.539860 0.639767
O -4.478212 -1.381164 0.501016
O 2.884475 2.239375 -0.144691
O 3.027423 -2.586272 0.084232
O 4.314457 -0.584462 -0.093706
N -1.332700 2.266184 0.226982
C -1.438747 -0.127391 0.194894
C -1.869471 1.152250 -0.616401
C -1.817542 0.293708 1.658846
C -2.125388 -1.426327 -0.317870
C -3.388519 1.256410 -0.835643
C -1.675414 1.860462 1.639027
C 0.103399 -0.213924 0.116764
C -3.622656 -1.285192 -0.716522
C -3.920197 -0.016060 -1.533522
C 0.140451 2.358370 0.012047
C 0.847891 0.996452 0.036793
C 0.769977 -1.473715 0.166822
C 2.276329 0.979545 -0.038580
C 2.160223 -1.453880 0.107626
C 2.918180 -0.269510 0.006745
C 4.377796 -2.021432 0.282761
C 4.355913 2.313334 -0.189941
H -1.369548 1.177106 -1.603882
H -1.142477 -0.179166 2.389255
H -2.846365 -0.011511 1.923281
H -1.580221 -1.767237 -1.219105
H -3.601510 2.151715 -1.446190
H -3.905069 1.425487 0.132225
H -2.623752 2.344166 1.936126
H -0.890568 2.220807 2.325043
H -3.901879 -2.191353 -1.281810
H -5.008740 0.051193 -1.717143
H -3.433348 -0.116214 -2.524497
H 0.571835 3.026444 0.778540
H 0.324763 2.858989 -0.958340
H 0.212017 -2.405416 0.277832
H -2.839967 -2.495455 1.199338
H -4.641975 -0.471236 0.856606
H 4.652114 -2.099725 1.354457
H 5.087219 -2.532322 -0.384228
H 4.755296 1.758977 -1.056561
H 4.801711 1.910352 0.736321
H 4.578789 3.386602 -0.285315


