%chk=000239112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239112

0 1
N -5.169823 1.669921 -0.202063
N 4.415808 2.788181 -0.283597
C -0.034486 -0.608783 1.129236
C -1.368453 -0.006310 0.733199
C 1.129905 0.268194 0.712054
C 0.110970 -2.033565 0.619194
C -1.915593 1.017822 1.522935
C 2.330231 0.201966 1.437328
C -2.073674 -0.429599 -0.400840
C 1.052583 1.142674 -0.379862
C 0.857820 -2.337030 -0.523781
C -0.532729 -3.067535 1.321677
C -3.852225 1.172510 0.054130
C 3.346689 1.875765 -0.010665
C 0.974399 -3.665552 -0.964849
C -3.134381 1.603795 1.194015
C 3.425007 0.987059 1.086533
C -3.295850 0.147299 -0.742304
C 2.140137 1.935256 -0.742803
C -0.418325 -4.386267 0.881096
C 0.333396 -4.692268 -0.257613
C 1.782711 -3.969437 -2.185799
C -5.458442 3.039262 0.311218
C -5.671987 1.502906 -1.595116
C 5.771365 2.351607 0.156437
C 4.456252 3.351555 -1.662747
H -0.019173 -0.662370 2.256536
H -1.377046 1.367980 2.403903
H 2.413812 -0.478169 2.285187
H -1.666803 -1.223885 -1.029754
H 0.128298 1.209831 -0.956834
H 1.358571 -1.540772 -1.073625
H -1.128385 -2.839294 2.202590
H -3.534706 2.387722 1.832852
H 4.336015 0.918335 1.676367
H -3.820444 -0.216234 -1.622439
H 2.039178 2.611418 -1.588161
H -0.918886 -5.184440 1.427425
H 0.417643 -5.723061 -0.590222
H 2.830162 -3.662988 -2.052377
H 1.787673 -5.037239 -2.437376
H 1.396211 -3.431419 -3.062776
H -5.291643 3.064894 1.402711
H -6.522029 3.275196 0.145678
H -4.847342 3.827902 -0.153871
H -6.720533 1.837850 -1.648418
H -5.666076 0.430691 -1.859822
H -5.089611 2.053634 -2.349534
H 5.760307 2.162159 1.244440
H 6.492487 3.166473 -0.017655
H 6.135733 1.446030 -0.352272
H 3.508153 3.878398 -1.870666
H 4.618173 2.598269 -2.448818
H 5.259059 4.103761 -1.726983


%chk=000239112-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239112

0 1
N -5.080097 1.936611 -0.335689
N 4.603145 2.587000 -0.507112
C -0.019474 -0.617828 1.032385
C -1.372582 0.012172 0.659321
C 1.175510 0.255657 0.616480
C 0.099306 -2.079653 0.556223
C -1.898322 1.062586 1.453141
C 2.382713 0.203089 1.357913
C -2.121166 -0.375791 -0.477834
C 1.147522 1.110543 -0.511664
C 0.937273 -2.467982 -0.513467
C -0.670867 -3.077610 1.211539
C -3.867611 1.309646 -0.012311
C 3.484824 1.823333 -0.141499
C 1.024395 -3.819972 -0.942354
C -3.111432 1.701511 1.138619
C 3.513401 0.961505 1.001016
C -3.338955 0.250008 -0.813864
C 2.267116 1.878319 -0.889990
C -0.596692 -4.423473 0.801475
C 0.247448 -4.795529 -0.272617
C 1.943153 -4.202525 -2.091540
C -5.595497 3.015654 0.511858
C -5.839701 1.499538 -1.510911
C 5.826757 2.526954 0.297671
C 4.535407 3.471158 -1.674255
H 0.002730 -0.661068 2.142647
H -1.339328 1.394575 2.337880
H 2.442340 -0.451690 2.237496
H -1.754517 -1.194544 -1.107885
H 0.225310 1.192298 -1.098376
H 1.547217 -1.706851 -1.015024
H -1.332729 -2.789533 2.037814
H -3.471050 2.502683 1.790965
H 4.415739 0.885160 1.615017
H -3.880155 -0.094267 -1.700037
H 2.186516 2.527290 -1.767187
H -1.192077 -5.186242 1.316907
H 0.305240 -5.845079 -0.586623
H 2.997235 -3.959114 -1.859029
H 1.886808 -5.282704 -2.312121
H 1.682058 -3.653890 -3.016199
H -5.784754 2.674317 1.551206
H -6.548680 3.383357 0.099385
H -4.893746 3.874137 0.561179
H -6.756493 2.103935 -1.601133
H -6.140385 0.433348 -1.437680
H -5.258811 1.621649 -2.448888
H 5.653366 2.856550 1.343647
H 6.588865 3.189608 -0.142823
H 6.249127 1.501195 0.333047
H 3.756468 4.254028 -1.559033
H 4.313147 2.909432 -2.605239
H 5.505092 3.976596 -1.809349


