%chk=000214902.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214902

0 1
O 7.082364 1.169882 -2.016497
O 4.464459 2.507545 1.094535
O 5.433402 -0.150260 -2.768192
O 5.053061 -4.464857 -0.144219
O 7.067517 -3.610732 0.326972
N -1.949609 2.873258 0.480355
N 4.128148 0.724881 -0.277720
N -4.658090 0.777743 -0.099875
N -2.858450 -1.426543 0.105088
N -4.675661 -2.890763 0.541539
N -7.433150 0.335391 0.304081
N -6.432936 -4.382264 0.885962
C 5.564596 0.421308 -0.354368
C 5.936090 -0.928696 0.283078
C -0.581039 2.526231 0.494456
C -2.827455 2.313604 -0.580699
C 5.214399 -2.128660 -0.332162
C 2.199362 2.041812 0.443938
C 3.666718 1.827680 0.471833
C -3.348399 0.929243 -0.266305
C 0.069603 2.149195 -0.710191
C 0.196010 2.660124 1.673254
C 1.439105 1.920715 -0.729089
C 1.565512 2.433320 1.636739
C 5.957806 0.413716 -1.836634
C -2.645209 3.049771 1.782262
C -5.128215 -0.489379 0.171426
C 5.924300 -3.406937 -0.004682
C -2.441459 -0.200524 -0.155211
C -4.242167 -1.625046 0.276568
C -6.552002 -0.719322 0.359819
C -6.988725 -2.019537 0.619477
C -6.031611 -3.071277 0.692292
H 6.140734 1.247004 0.176816
H 5.719065 -0.877078 1.372588
H 7.039965 -1.072045 0.214853
H -2.280418 2.297667 -1.555410
H -3.679103 3.025752 -0.723221
H 3.493944 0.080127 -0.740209
H 5.144865 -2.036655 -1.446334
H 4.156764 -2.182689 0.010376
H -0.498986 2.068320 -1.636030
H -0.264577 2.954348 2.613013
H 1.923734 1.656023 -1.671650
H 2.165439 2.557953 2.543674
H -2.166349 3.869431 2.346423
H -2.644356 2.137698 2.402256
H -3.696230 3.340077 1.612325
H -1.358471 -0.049902 -0.286250
H -8.040612 -2.237438 0.754571
H 7.390751 1.196671 -2.964134
H -7.110999 1.260993 0.060323
H -8.424879 0.189180 0.353961
H 5.479904 -5.343539 0.042281
H -5.731444 -5.099069 1.018501
H -7.363114 -4.590451 1.198450


%chk=000214902-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214902

0 1
O 7.267756 0.605674 -2.810774
O 4.679160 1.866076 1.352469
O 5.008122 0.606861 -3.341186
O 5.569020 -4.184064 -0.308703
O 6.973419 -2.972210 1.087783
N -1.804950 2.387766 1.303996
N 4.277355 0.940401 -0.731415
N -4.786370 0.640618 -0.055267
N -3.572927 -1.547818 1.339866
N -5.476097 -2.892251 0.931979
N -7.288085 0.379632 -1.134542
N -7.330659 -4.230433 0.545620
C 5.710542 0.752596 -0.972943
C 6.304038 -0.484177 -0.229576
C -0.442907 2.160984 1.075460
C -2.825820 2.085105 0.291765
C 5.624273 -1.802599 -0.635363
C 2.364877 1.706501 0.620271
C 3.838108 1.517999 0.456482
C -3.548269 0.753962 0.485583
C 0.011490 1.357307 -0.020726
C 0.550562 2.711391 1.948448
C 1.382156 1.144786 -0.238897
C 1.914591 2.481612 1.720679
C 5.917112 0.655095 -2.478987
C -2.255843 3.049086 2.538278
C -5.430271 -0.562682 0.088066
C 6.146657 -2.987813 0.150844
C -2.961399 -0.353828 1.182406
C -4.841720 -1.686768 0.785605
C -6.761372 -0.710602 -0.482855
C -7.398944 -1.949709 -0.325523
C -6.718682 -3.001766 0.383468
H 6.258143 1.638914 -0.594459
H 6.175312 -0.304082 0.850755
H 7.388663 -0.529110 -0.429545
H -2.365319 2.114036 -0.713826
H -3.592363 2.882898 0.290919
H 3.656028 0.817618 -1.535156
H 5.756225 -2.029046 -1.711406
H 4.530691 -1.742113 -0.470791
H -0.706366 0.863708 -0.682617
H 0.253460 3.332536 2.797724
H 1.667772 0.493472 -1.073985
H 2.672215 2.902091 2.390545
H -2.008806 4.131078 2.550558
H -1.802211 2.579625 3.430512
H -3.349147 2.942346 2.625381
H -1.965185 -0.254265 1.626447
H -8.400479 -2.123379 -0.734198
H 7.368004 0.537471 -3.798875
H -6.706364 1.217983 -1.175289
H -8.207297 0.362488 -1.565193
H 5.917975 -4.942816 0.233737
H -6.815591 -4.947132 1.053337
H -8.256380 -4.428054 0.178121


