%chk=000216702.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216702

0 1
O 5.843736 0.889726 1.927628
N -1.056912 1.083386 -0.289701
C 1.238396 0.292316 0.205134
C 0.289224 0.846724 -0.902651
C 0.649359 0.928744 1.499373
C -0.773032 1.415343 1.147114
C 1.144380 -1.251939 0.285174
C 2.696187 0.681256 0.008530
C -1.956291 -0.107225 -0.446134
C 1.663310 -1.963236 -0.970937
C -3.387030 0.270344 -0.029821
C 3.578141 0.600100 1.100348
C 3.190983 1.079956 -1.241781
C -4.360099 -0.886407 -0.287219
C 1.462573 -3.474109 -0.884896
C 4.921865 0.940078 0.907730
C 4.541863 1.415982 -1.404594
C -5.789177 -0.516501 0.132176
C 5.429888 1.354547 -0.334627
C -6.768004 -1.670741 -0.125613
C -8.191678 -1.307220 0.290392
H 0.236306 0.180680 -1.782662
H 0.643795 1.838213 -1.261791
H 0.633763 0.213785 2.335376
H 1.268072 1.780557 1.832498
H -0.842375 2.521016 1.232754
H -1.531740 0.993344 1.831660
H 1.706465 -1.610360 1.168583
H 0.084416 -1.535324 0.463813
H -1.950039 -0.397548 -1.519958
H -1.600426 -0.994980 0.125423
H 2.739397 -1.735787 -1.114911
H 1.149482 -1.566677 -1.869899
H -3.704870 1.174119 -0.588571
H -3.412669 0.560157 1.038115
H 3.226137 0.273699 2.072378
H 2.533446 1.132061 -2.105933
H -4.344074 -1.160988 -1.359905
H -4.029361 -1.789239 0.261181
H 1.844020 -3.974123 -1.782679
H 0.404027 -3.739107 -0.787116
H 1.989508 -3.903250 -0.024919
H 4.902312 1.729172 -2.385337
H -6.121219 0.386222 -0.416297
H -5.809569 -0.239622 1.203619
H 6.480405 1.611073 -0.434954
H -6.437809 -2.574361 0.423020
H -6.751382 -1.945458 -1.198537
H 5.442087 0.592914 2.779277
H -8.883288 -2.135850 0.101944
H -8.251448 -1.065927 1.357704
H -8.563852 -0.437235 -0.262700


%chk=000216702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216702

0 1
O 5.387787 2.594147 1.573839
N -1.015538 0.106932 0.046678
C 1.412999 -0.218779 0.304872
C 0.226867 -0.187159 -0.728130
C 0.714661 0.251899 1.630722
C -0.745941 -0.202449 1.468242
C 1.919477 -1.694402 0.517027
C 2.608222 0.667019 -0.083388
C -2.239912 -0.477557 -0.532299
C 2.585905 -2.385593 -0.693998
C -3.531196 0.027745 0.142422
C 3.423234 1.236846 0.929236
C 2.979233 0.881096 -1.436875
C -4.806592 -0.521372 -0.535537
C 2.985608 -3.843315 -0.375564
C 4.560867 2.007323 0.595429
C 4.118249 1.654168 -1.761191
C -6.109022 -0.038441 0.141735
C 4.919509 2.226157 -0.752913
C -7.388338 -0.590877 -0.527510
C -8.684742 -0.100021 0.152560
H 0.152019 -1.170818 -1.249918
H 0.364591 0.589029 -1.503347
H 1.188625 -0.177370 2.532421
H 0.744545 1.353814 1.703731
H -1.432495 0.351361 2.132864
H -0.856632 -1.294018 1.702179
H 2.645409 -1.688673 1.356522
H 1.056020 -2.308487 0.847363
H -2.269606 -0.204910 -1.606132
H -2.217454 -1.601294 -0.487412
H 3.481045 -1.813310 -1.001053
H 1.896029 -2.378404 -1.562220
H -3.532435 1.135257 0.114001
H -3.537212 -0.264301 1.211969
H 3.166362 1.085525 1.986183
H 2.384823 0.441601 -2.244137
H -4.815984 -0.217711 -1.603506
H -4.781385 -1.631640 -0.528184
H 3.473394 -4.324995 -1.242805
H 2.101338 -4.450853 -0.103818
H 3.693445 -3.883811 0.474089
H 4.385396 1.811288 -2.812237
H -6.139570 1.071144 0.129570
H -6.098875 -0.336514 1.211298
H 5.802257 2.829471 -0.983124
H -7.357538 -1.699686 -0.511562
H -7.395558 -0.296268 -1.596957
H 5.049322 2.396481 2.482308
H -9.583944 -0.510088 -0.343156
H -8.715068 -0.406675 1.215344
H -8.755003 1.003787 0.121170


