%chk=000218024.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218024

0 1
O 3.623496 -3.639039 0.110816
N 0.900106 2.136961 -0.139003
N 2.058602 4.789582 -0.426604
C 0.336131 0.957920 0.622443
C 0.089754 3.378481 0.111123
C 2.325581 2.410955 0.251894
C -1.079489 0.640623 0.079946
C 0.627869 4.521858 -0.771533
C 2.882038 3.555521 -0.618950
C 1.232824 -0.253153 0.436794
C -1.765583 -0.459976 0.900341
C 1.678609 -0.970386 1.561788
C 1.602474 -0.680555 -0.845373
C -3.147589 -0.730588 0.370417
C 2.476543 -2.099243 1.413642
C 2.406109 -1.810719 -1.023039
C 2.832715 -2.509396 0.112397
C -4.257033 -0.060584 0.908758
C -3.335438 -1.651096 -0.672692
C -5.538278 -0.312770 0.410998
C -4.618350 -1.899206 -1.166781
C -5.722582 -1.231876 -0.626568
C 4.052714 -4.161601 -1.168775
H 0.254491 1.193603 1.717805
H 0.105963 3.692877 1.177843
H -0.970080 3.172696 -0.159159
H 2.930623 1.495833 0.075275
H 2.430319 2.674028 1.326965
H -1.014428 0.340501 -0.984831
H -1.705368 1.557030 0.085711
H 0.480341 4.262124 -1.842757
H 0.050789 5.449459 -0.568997
H 3.920609 3.789320 -0.300177
H 2.923851 3.223806 -1.679518
H 2.418914 5.533742 -1.034947
H -1.153226 -1.386926 0.874392
H -1.808006 -0.171708 1.969589
H 1.398122 -0.642993 2.563053
H 1.264970 -0.113249 -1.716314
H 2.829479 -2.667795 2.270303
H 2.683237 -2.125173 -2.022656
H -4.121170 0.656621 1.714960
H -2.479402 -2.171777 -1.097433
H -6.395475 0.208527 0.833439
H -4.758448 -2.614969 -1.974952
H -6.720343 -1.427403 -1.011816
H 4.673421 -3.427743 -1.690479
H 3.187683 -4.463444 -1.766002
H 4.645911 -5.034702 -0.866932


%chk=000218024-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218024

0 1
O 3.623962 -3.735469 0.089178
N 0.941885 2.157035 -0.124892
N 2.040314 4.804887 -0.501649
C 0.350420 1.000016 0.624325
C 0.061682 3.351557 -0.240422
C 2.254407 2.554267 0.461176
C -1.093639 0.677788 0.140348
C 0.741611 4.433587 -1.100818
C 2.935885 3.632477 -0.396671
C 1.253655 -0.227703 0.467401
C -1.715092 -0.560300 0.842887
C 1.635212 -1.013301 1.584678
C 1.691233 -0.633366 -0.815623
C -3.149996 -0.797932 0.394657
C 2.421642 -2.171392 1.430392
C 2.481026 -1.791161 -0.993422
C 2.844622 -2.566377 0.137254
C -4.243053 -0.243198 1.109548
C -3.425497 -1.550583 -0.776999
C -5.572779 -0.431632 0.668187
C -4.752356 -1.742361 -1.223319
C -5.832598 -1.181849 -0.502085
C 4.083899 -4.186187 -1.225357
H 0.282963 1.240894 1.720085
H -0.175249 3.786612 0.763750
H -0.884611 3.068917 -0.730246
H 2.901767 1.662180 0.515223
H 2.123124 2.952910 1.498713
H -1.076625 0.513945 -0.955139
H -1.759073 1.539704 0.332755
H 0.844862 4.028002 -2.138394
H 0.090600 5.326623 -1.140649
H 3.882190 3.939231 0.085875
H 3.178423 3.183227 -1.391856
H 2.482086 5.604642 -0.972787
H -1.095346 -1.449583 0.627942
H -1.682134 -0.402690 1.939594
H 1.316249 -0.713118 2.590678
H 1.426469 -0.011550 -1.678200
H 2.720928 -2.779929 2.289295
H 2.806162 -2.073429 -1.999714
H -4.050012 0.335560 2.021981
H -2.592316 -1.993919 -1.337184
H -6.403863 0.001390 1.237013
H -4.944882 -2.331004 -2.127866
H -6.862728 -1.331872 -0.844696
H 4.736475 -3.431303 -1.706543
H 3.231814 -4.417798 -1.894341
H 4.660279 -5.102449 -1.029655


